SCHEMBL98912

SCHEMBL98912

N#Cc1cccc(-c2cc[nH]n2)c1

nearest known ligand 0.59

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.59
CLK4 Q9HAZ1 2/20 0.50
XDH P47989 1/20 0.49
MAOB P27338 2/20 0.47
GRM5 P41594 2/20 0.47
GABRG2 P18507 3/20 0.45
GABRB3 P28472 3/20 0.45
GABRA5 P31644 3/20 0.45
GABRA3 P34903 3/20 0.45
GABRA1 P14867 1/20 0.45
CTSS P25774 1/20 0.44
CTSK P43235 1/20 0.44
NOTUM Q6P988 1/20 0.44
USP2 O75604 1/20 0.44
ALDH1A1 P00352 1/20 0.44
CYP1A2 P05177 1/20 0.44
MAPK1 P28482 1/20 0.44
CYP2C19 P33261 1/20 0.44
HSD17B10 Q99714 1/20 0.44
USP30 Q70CQ3 1/20 0.43

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
SCHEMBL31339117 1.00 IDO1 (0.59) IDO1CLK4XDHMAOBGRM5
SCHEMBL29588963 0.86 IDO1 (0.49) IDO1CLK4XDHMAOBGABRG2
SCHEMBL27822419 0.83 IDO1 (0.41) IDO1CLK4XDHMAOBGRM5
SCHEMBL5468496 0.81 IDO1 (0.37) IDO1CYP1A2CYP2C19
SCHEMBL8010295 0.80 ASIC3 (0.40) IDO1XDHGRM5CTSSCTSK
SCHEMBL1229696 0.78 GAA (0.43) MAOBGABRG2GABRB3GABRA5GABRA3
SCHEMBL29550259 0.76 CYP1A2 (0.57) IDO1CLK4XDHMAOBCYP1A2
SCHEMBL1151183 0.76 CYP1A2 (0.57) IDO1CLK4XDHMAOBCYP1A2
SCHEMBL5206170 0.75 IDO1 (0.54) IDO1CLK4XDHMAOBGRM5
SCHEMBL29626656 0.75 IDO1 (1.00) IDO1CLK4XDHGABRG2GABRB3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101965350-A Novel pyrazolo [3,4-d ] pyrimidine derivatives as anticancer agents NATCO PHARMA LTD 2011-02-02 CN claimed
US-20250353851-A1 PURINES AND METHODS OF THEIR USE KINETA INC (US) 2025-11-20 US disclosed
EP-4444312-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2024-10-16 EP disclosed
US-20240150358-A1 PURINES AND METHODS OF THEIR USE Kineta, Inc. 2024-05-09 US disclosed
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME THERAPEUTICS LLC 2024-01-18 US disclosed
EP-3838903-B1 PYRROLO[2,3-D]PYRIMIDINE DERIVATIVE AS JANUS KINASE INHIBITOR INCYTE HOLDINGS CORP (US) 2023-11-22 EP disclosed
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors INCYTE CORPORATION (US) 2023-09-05 US disclosed
EP-4229063-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME TME Therapeutics LLC (US) 2023-08-23 EP disclosed
WO-2023107552-A2 PURINES AND METHODS OF THEIR USE Kineta, Inc. (US) 2023-06-15 WO disclosed
US-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION 2022-12-15 US disclosed
EP-1382603-B1 NITROGENOUS FUSED-RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF EISAI R&D MAN CO LTD (JP) 2008-07-23 EP disclosed
US-7332233-B2 Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO., LTD. (KR) 2008-02-19 US disclosed
CN-101076332-A Pyrazole or triazole compounds and their use for the manufacture of a medicament for treating somatic mutation-related diseases PTC THERAPEUTICS INC (US) 2007-11-21 CN disclosed
WO-2007070514-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-B]PYRIDINES AND PYRROLO[2,3-B]PYRIMIDINES AS JANUS KINASE INHIBITORS INCYTE CORPORATION (US) 2007-06-21 WO disclosed
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer INCYTE CORPORATION 2007-06-14 US disclosed
US-7074801-B1 Nitrogen-containing condensed cyclic compound having a pyrazolyl group as a substituent group and pharmaceutical composition thereof EISAI CO., LTD. (JP) 2006-07-11 US disclosed
CN-1626540-A Iridium compound and organic electroluminescent device using the same SAMSUNG SDI CO LTD (KR) 2005-06-15 CN disclosed
EP-1382603-A1 NITROGENOUS FUSED−RING COMPOUND HAVING PYRAZOLYL GROUP AS SUBSTITUENT AND MEDICINAL COMPOSITION THEREOF Eisai Co., Ltd. (JP) 2004-01-21 EP disclosed
EP-0784612-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1997-07-23 EP disclosed
WO-1996010559-A1 UREA DERIVATIVES AND THEIR USE AS ACAT-INHIBITORS FUJISAWA PHARMACEUTICAL CO., LTD. (JP) 1996-04-11 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 (6 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-20220395506-A1 HETEROARYL SUBSTITUTED PYRROLO[2,3-b]PYRIDINES AND PYRROLO[2,3-b]PYRIMIDINES AS JANUS KINASE INHIBITORS JAK3, JAK1, JAK2 IDO1 419/4885CLK4 961/4885XDH 2113/4885
US-20240150358-A1 PURINES AND METHODS OF THEIR USE PNP, NUDT1, HPRT1 IDO1 1886/4885CLK4 4395/4885XDH 23/4885
US-20070135461-A1 3-Cyclopentyl-3-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1H-pyrazol-1-yl]propanenitrile; immune-related diseases, skin disorders, myeloid proliferative disorders, cancer JAK1, JAK3, MAP3K4 IDO1 472/4885CLK4 537/4885XDH 3018/4885
US-11744832-B2 Heteroaryl substituted pyrrolo[2,3-b]pyridines and pyrrolo[2,3-b]pyrimidines as Janus kinase inhibitors JAK3, JAK1, JAK2 IDO1 419/4885CLK4 961/4885XDH 2113/4885
US-20240018151-A1 NOVEL INHIBITORS OF PIKFYVE AND METHODS USING SAME PIKFYVE, PIK3CD, PIK3R5 IDO1 1352/4885CLK4 590/4885XDH 4560/4885
US-20250353851-A1 PURINES AND METHODS OF THEIR USE TDP1, TDP2, PIKFYVE IDO1 3353/4885CLK4 1402/4885XDH 694/4885

“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.