SCHEMBL10330489

SCHEMBL10330489

CC(C)c1cc(N)nc2ccccc12

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
BACE1 P56817 2/20 0.59
NCF1 P14598 11/20 0.46
ALDH1A1 P00352 3/20 0.45
HPGD P15428 3/20 0.45
HSD17B10 Q99714 3/20 0.45
KDM4E B2RXH2 2/20 0.45
GLA P06280 2/20 0.45
CASP1 P29466 2/20 0.45
CASP7 P55210 2/20 0.45
SMN1; SMN2 Q16637 2/20 0.45
CHRM2 P08172 1/20 0.45
ADRA2A P08913 1/20 0.45
ADORA3 P0DMS8 1/20 0.45
CHRM1 P11229 1/20 0.45
NQO2 P16083 1/20 0.45
MAOA P21397 1/20 0.45
DRD1 P21728 1/20 0.45
ACHE P22303 1/20 0.45
SLC6A2 P23975 1/20 0.45
ADRA1A P35348 1/20 0.45

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
SCHEMBL7226133 0.86 BACE1 (0.56) BACE1NCF1ALDH1A1HPGDHSD17B10
SCHEMBL17434164 0.86 BACE1 (0.56) BACE1NCF1ALDH1A1HPGDHSD17B10
SCHEMBL12390044 0.79 CYP1A2 (0.41) BACE1NCF1ALDH1A1HPGDHSD17B10
SCHEMBL7998749 0.79 CYP1A2 (0.60) NCF1ALDH1A1HPGDKDM4ESMN1; SMN2
SCHEMBL1577721 0.78 GABRA1 (0.41) BACE1NCF1HPGDSMN1; SMN2SLC6A2
SCHEMBL1577322 0.78 LMNA (0.50) ALDH1A1KDM4EMAOARAB9ACYP1A2
SCHEMBL26241058 0.78 BACE1 (0.55) BACE1NCF1HPGDSLC6A2TLR8
SCHEMBL1577469 0.77 ALDH1A1 (0.43) BACE1NCF1ALDH1A1HPGDHSD17B10
SCHEMBL1598627 0.77 APP (0.42) BACE1APP
SCHEMBL12768139 0.76 ACHE (0.56) ALDH1A1HPGDKDM4ESMN1; SMN2ACHE

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 17 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20240025918-A1 KRAS G12D Inhibitors JACOBIO PHARMACEUTICALS CO., LTD. (CN) 2024-01-25 US disclosed
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2022-06-02 US disclosed
EP-4001269-A1 BENZOISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER Amgen Inc. (US) 2022-05-25 EP disclosed
US-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES ERASCA, INC. 2022-04-21 US disclosed
EP-3558955-B1 BENZISOTHIAZOLE, ISOTHIAZOLO[3,4-B]PYRIDINE, QUINAZOLINE, PHTHALAZINE, PYRIDO[2,3-D]PYRIDAZINE AND PYRIDO[2,3-D]PYRIMIDINE DERIVATIVES AS KRAS G12C INHIBITORS FOR TREATING LUNG, PANCREATIC OR COLORECTAL CANCER AMGEN INC (US) 2021-08-11 EP disclosed
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2021-01-14 US disclosed
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. 2020-02-20 US disclosed
US-10519146-B2 KRAS G12C inhibitors and methods of using the same AMGEN INC. (US) 2019-12-31 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME AMGEN INC. (US) 2018-06-28 US disclosed
US-8901139-B2 Tricyclic indole derivatives and methods of use thereof MERCK SHARP & DOHME CORP. (US) 2014-12-02 US disclosed
US-8222421-B2 Certain substituted ureas, as modulators of kinase activity GILEAD CONNECTICUT, INC. (US) 2012-07-17 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF MERCK SHARP & DOHME LLC 2011-08-04 US disclosed
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY CGI PHARMACEUTICALS, INC. 2010-11-11 US disclosed
US-7777040-B2 Certain substituted ureas, as modulators of kinase activity CGI PHARMACEUTICALS, INC. (US) 2010-08-17 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 (9 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-20220119409-A1 TRICYCLIC PYRIDONES AND PYRIMIDONES DHFR, TYMS, TYMP BACE1 2887/4885NCF1 1781/4885ALDH1A1 564/4885
US-10519146-B2 KRAS G12C inhibitors and methods of using the same KRAS, NRAS, HRAS BACE1 2900/4885NCF1 1500/4885ALDH1A1 4162/4885
US-20100286190-A1 CERTAIN SUBSTITUTED UREAS, AS MODULATORS OF KINASE ACTIVITY UCK2, CHUK, TK1 BACE1 4484/4885NCF1 553/4885ALDH1A1 1183/4885
US-20110189127-A1 TRICYCLIC INDOLE DERIVATIVES AND METHODS OF USE THEREOF IDO1, IDO2, TPH1 BACE1 1943/4885NCF1 3876/4885ALDH1A1 1741/4885
US-20180177767-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS BACE1 2900/4885NCF1 1500/4885ALDH1A1 4162/4885
US-20220168280-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS BACE1 2900/4885NCF1 1500/4885ALDH1A1 4162/4885
US-20210009577-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS BACE1 2900/4885NCF1 1500/4885ALDH1A1 4162/4885
US-20200055845-A1 KRAS G12C INHIBITORS AND METHODS OF USING THE SAME KRAS, NRAS, HRAS BACE1 2771/4885NCF1 1336/4885ALDH1A1 4155/4885
US-20240025918-A1 KRAS G12D Inhibitors KRAS, NRAS, HRAS BACE1 868/4885NCF1 1878/4885ALDH1A1 3208/4885

“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.