SCHEMBL216372

SCHEMBL216372

C[CH]c1cccc2cccnc12

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 4/20 0.54
LMNA P02545 3/20 0.54
CCR1 P32246 3/20 0.54
CCR5 P51681 3/20 0.54
CCR8 P51685 3/20 0.54
MMP2 P08253 2/20 0.54
TSHR P16473 2/20 0.54
MAPT P10636 2/20 0.54
ALOX15 P16050 2/20 0.54
HTT P42858 2/20 0.54
GMNN O75496 1/20 0.54
TP53 P04637 1/20 0.54
HSP90AA1 P07900 1/20 0.54
CYP3A4 P08684 1/20 0.54
CYP2D6 P10635 1/20 0.54
MMP9 P14780 1/20 0.54
NFKB1 P19838 1/20 0.54
MMP8 P22894 1/20 0.54
THPO P40225 1/20 0.54
MTOR P42345 1/20 0.54

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
SCHEMBL15870950 0.84 LMNA (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL5857429 0.80 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL24060233 0.79 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL2129888 0.79 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL194281 0.79 KDM4E (0.54) KDM4ELMNACCR1CCR5CCR8
SCHEMBL16307963 0.79 MMP2 (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL27822917 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
Water SCHEMBL28278303 0.78 KDM4E (0.52) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9000723 0.76 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8
SCHEMBL9000718 0.76 KDM4E (0.50) KDM4ELMNACCR1CCR5CCR8

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-111138810-B UV patternable polymer blend for organic thin film transistor 康宁股份有限公司 2024-05-17 CN disclosed
US-11981679-B2 Tricyclic compounds, compositions and medicinal applications thereof IMPETIS BIOSCIENCES LTD. (IN) 2024-05-14 US disclosed
CN-118001282-A Pharmaceutical composition for cancer treatment 因佩蒂斯生物科学有限公司 2024-05-10 CN disclosed
US-11917897-B2 Photo-patternable organic semiconductor (OSC) polymers for organic thin-film transistors CORNING INCORPORATED (US) 2024-02-27 US disclosed
CN-117222235-A Pseudo-homogeneous photopatternable semiconducting polymer blends for Organic Thin Film Transistors (OTFTs) 康宁股份有限公司 2023-12-12 CN disclosed
WO-2023235181-A1 PSEUDO-HOMOGENEOUS PHOTO-PATTERNABLE SEMICONDUCTING POLYMER BLENDS FOR ORGANIC THIN-FILM TRANSISTORS (OTFT) CORNING INCORPORATED (US) 2023-12-07 WO disclosed
US-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same IRIMAJIRI THERAPEUTICS INC. (JP) 2023-10-10 US disclosed
CN-111770926-B Tricyclic compounds, compositions and pharmaceutical uses thereof 因佩蒂斯生物科学有限公司 2023-07-21 CN disclosed
US-11643379-B2 Synthesis of branched alkyl alcohols by Cu(I)-catalyzed C-C coupling between alkyl Grignard reagents and alkyl tosylates CORNING INCORPORATED (US) 2023-05-09 US disclosed
US-20220402927-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF IMPETIS BIOSCIENCES LTD. (IN) 2022-12-22 US disclosed
US-6713650-B2 ELEVATES ATP BINDING CASSETTE TRANSPORTER 1 EXPRESSION THEREBY INCREASING EFFLUX OF CHOLESTEROL FROM CELLS BY ACTIVE TRANSFER INTO HIGH DENSITY LIPOPROTEINS CV THERAPEUTICS, INC. 2004-03-30 US disclosed
EP-1377283-A2 COMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2004-01-07 EP disclosed
WO-2003103651-A1 COMPOUNDS OF THE FORMU;A R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CAD OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2003-12-18 WO disclosed
US-20030229106-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-12-11 US disclosed
US-20030149060-A1 A2A adenosine receptor antagonists CV THERAPEUTICS, INC. 2003-08-07 US disclosed
US-20030139428-A1 A2B adenosine receptor antagonists GILEAD SCIENCES, INC. 2003-07-24 US disclosed
WO-2003051882-A1 A2A ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-06-26 WO disclosed
WO-2003042214-A2 A2B ADENOSINE RECEPTOR ANTAGONISTS CV THERAPEUTICS, INC. (US) 2003-05-22 WO disclosed
US-20020082257-A1 ABCA-1 Elevating compounds CV THERAPEUTICS, INC. 2002-06-27 US disclosed
WO-2002046141-A2 COUMPOUNDS OF THE FORMULA R1-X-Y-Z-NR2R3 AS ABCA-1 ELEVATING AGENTS AGAINST CORONARY ARTERY DISEASE OR ATHEROSCLEROSIS CV THERAPEUTICS, INC. (US) 2002-06-13 WO 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 (8 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-20220402927-A1 TRICYCLIC COMPOUNDS, COMPOSITIONS AND MEDICINAL APPLICATIONS THEREOF ADORA2A, ADORA1, ADORA2B KDM4E 4632/4885LMNA 381/4885CCR1 1772/4885
US-20030139428-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KDM4E 4096/4885LMNA 4044/4885CCR1 1209/4885
US-20030229106-A1 A2B adenosine receptor antagonists ADORA2B, ADORA2A, ADORA1 KDM4E 4096/4885LMNA 4044/4885CCR1 1209/4885
US-11780841-B2 3,6-methano-1H-pyrrolo[3,2-b]pyridine and 3,6-methano-1H-pyrrolo[3,2-c]pyridine compounds and medicaments using same AVPR1B, AVPR2, F12 KDM4E 663/4885LMNA 1940/4885CCR1 1120/4885
US-11643379-B2 Synthesis of branched alkyl alcohols by Cu(I)-catalyzed C-C coupling between alkyl Grignard reagents and alkyl tosylates ADH1C, UGCG, ADH1A KDM4E 2947/4885LMNA 1476/4885CCR1 144/4885
US-20020082257-A1 ABCA-1 Elevating compounds ABCD3, ABCE1, ABCB4 KDM4E 4506/4885LMNA 1603/4885CCR1 1452/4885
US-20030149060-A1 A2A adenosine receptor antagonists ADORA2A, ADORA2B, ADORA3 KDM4E 3863/4885LMNA 2965/4885CCR1 2891/4885
US-11981679-B2 Tricyclic compounds, compositions and medicinal applications thereof ADORA2A, ADORA1, ADORA2B KDM4E 4632/4885LMNA 381/4885CCR1 1772/4885

“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.