SCHEMBL2625532

SCHEMBL2625532

CC(C)(C)C[C@@H]1CCCO1

nearest known ligand 0.40

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 4/20 0.37
ALDH1A1 P00352 5/20 0.36
SMN1; SMN2 Q16637 2/20 0.36
TSHR P16473 2/20 0.36
LMNA P02545 1/20 0.36
POLB P06746 1/20 0.36
USP2 O75604 1/20 0.36
HSD17B10 Q99714 2/20 0.36
GAA P10253 1/20 0.36
RAB9A P51151 1/20 0.36
PKM P14618 1/20 0.36
HPGD P15428 3/20 0.35
TP53 P04637 1/20 0.35
ALOX12 P18054 1/20 0.35
MEN1 O00255 1/20 0.34
ALOX15 P16050 1/20 0.34
NPC1 O15118 1/20 0.34
KDM4E B2RXH2 1/20 0.33

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2625534 1.00 KMT2A (0.37) KMT2AALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL2622404 1.00 KMT2A (0.37) KMT2AALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL6985391 0.93 KMT2A (0.33) KMT2AALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL12723555 0.87
SCHEMBL20129895 0.87
SCHEMBL17996932 0.87
SCHEMBL18632851 0.87 KMT2A (0.32) KMT2AALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL26883170 0.87 LMNA (0.33) KMT2AALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL329518 0.86 KMT2A (0.38) KMT2AALDH1A1SMN1; SMN2TSHRLMNA
SCHEMBL23766537 0.82 KMT2A (0.35) KMT2AALDH1A1SMN1; SMN2TSHRLMNA

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 65 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis NOVARTIS AG (CH) 2024-02-27 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS Epizyme, Inc. (US) 2023-11-09 US disclosed
US-20230227445-A1 BENZAMIDE COMPOUND AND USE THEREOF HUMANWELL HEALTHCARE (GROUP) CO., LTD. (CN) 2023-07-20 US disclosed
US-20230227445-A1 BENZAMIDE COMPOUND AND USE THEREOF HUMANWELL HEALTHCARE (GROUP) CO., LTD. (CN) 2023-07-20 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF GENFLEET THERAPEUTICS (SHANGHAI) INC. (CN) 2023-06-29 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-11685732-B2 MYST family histone acetyltransferase inhibitors Epizyme, Inc. (US) 2023-06-27 US disclosed
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof PFIZER INC. 2008-07-10 US disclosed
US-7388009-B2 Heteroaryl-substituted pyrrolo-triazine compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2008-06-17 US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof PFIZER INC 2008-03-20 US disclosed
US-20070105893-A1 Novel Compounds ASTRAZENECA AB R&D HEADQUARTERS GLOBAL INTELLECTUAL PROPERTY PATENTS (SE) 2007-05-10 US disclosed
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS SQUIBB COMPANY 2007-02-22 US disclosed
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands SCHERING CORPORATION 2007-02-22 US disclosed
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors DR. REDDY'S LABORATORIES LTD. (IN) 2007-01-18 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 US disclosed
US-7160883-B2 Pyrrolo-triazine aniline compounds useful as kinase inhibitors BRISTOL-MYERS-SQUIBB COMPANY (US) 2007-01-09 US disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (11 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20080070887-A1 Diaryl Ether Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KMT2A 1698/4885ALDH1A1 492/4885SMN1; SMN2 1897/4885
US-20230357208-A1 MYST FAMILY HISTONE ACETYLTRANSFERASE INHIBITORS EP300, KAT2A, KAT6A KMT2A 33/4885ALDH1A1 2786/4885SMN1; SMN2 3017/4885
US-20230227445-A1 BENZAMIDE COMPOUND AND USE THEREOF P2RX3, P2RX4, P2RX7 KMT2A 2860/4885ALDH1A1 1182/4885SMN1; SMN2 3183/4885
US-20070043053-A1 Pyrrolo-triazine aniline compounds useful as kinase inhibitors PLK2, CDK2, MAP3K15 KMT2A 718/4885ALDH1A1 3629/4885SMN1; SMN2 4350/4885
US-20230203060-A1 FUSED TRICYCLIC COMPOUND, PHARMACEUTICAL COMPOSITION THEREOF, AND USE THEREOF KRAS, NRAS, TP53 KMT2A 3065/4885ALDH1A1 3223/4885SMN1; SMN2 3268/4885
US-11685732-B2 MYST family histone acetyltransferase inhibitors EP300, KAT2A, KAT6A KMT2A 33/4885ALDH1A1 2786/4885SMN1; SMN2 3017/4885
US-20070015758-A1 Novel benzylamine derivatives and their utility as cholesterol ester-transfer protein inhibitors CETP, NPC1, DBI KMT2A 1742/4885ALDH1A1 3986/4885SMN1; SMN2 3792/4885
US-20080167371-A1 Diaryl, Dipyridinyl and Aryl-Pyridinyl Derivatives and Uses Thereof OPRD1, OPRK1, OPRL1 KMT2A 1765/4885ALDH1A1 1390/4885SMN1; SMN2 2395/4885
US-11911371-B2 Pyridine and pyrazine derivative for the treatment of chronic bronchitis CFTR, OPRK1, CHRM3 KMT2A 4007/4885ALDH1A1 2546/4885SMN1; SMN2 2229/4885
US-20070105893-A1 Novel Compounds CNR1, CNR2, OPRL1 KMT2A 1306/4885ALDH1A1 2405/4885SMN1; SMN2 2459/4885
US-20070043045-A1 Novel high affinity thiophene-based and furan-based kinase ligands CDKL2, CDK2, CDKL1 KMT2A 806/4885ALDH1A1 4225/4885SMN1; SMN2 2211/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.