SCHEMBL2530675

SCHEMBL2530675

[c]1[nH]c2ccccc2c1-c1ncc[nH]1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NISCH Q9Y2I1 2/20 0.46
MTOR P42345 1/20 0.46
ADK P55263 1/20 0.46
ALDH1A1 P00352 3/20 0.38
MEN1 O00255 3/20 0.38
KMT2A Q03164 3/20 0.38
TUBB4A P04350 1/20 0.37
TUBB P07437 1/20 0.37
TUBA3C P0DPH7 1/20 0.37
TUBA1B P68363 1/20 0.37
TUBA4A P68366 1/20 0.37
TUBB4B P68371 1/20 0.37
TUBB3 Q13509 1/20 0.37
TUBB2A Q13885 1/20 0.37
TUBB8 Q3ZCM7 1/20 0.37
TUBA3E Q6PEY2 1/20 0.37
TUBA1A Q71U36 1/20 0.37
TUBA1C Q9BQE3 1/20 0.37
TUBB6 Q9BUF5 1/20 0.37
TUBB2B Q9BVA1 1/20 0.37

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
SCHEMBL4309887 0.75 PARP1 (0.36) ALDH1A1MEN1KMT2AIDO1KDM4E
SCHEMBL6301542 0.73 NPC1 (0.58) MTORALDH1A1MEN1KMT2ANPC1
SCHEMBL4129759 0.72 LRRK2 (0.49) MTORALDH1A1NPC1RAB9AKDM4E
SCHEMBL5547503 0.72 PDPK1 (0.44) ALDH1A1MEN1KMT2ATUBB4ATUBB
SCHEMBL26259955 0.72 NISCH (0.61) NISCHMTORADKALDH1A1MEN1
SCHEMBL6203822 0.71 KDM4E (0.32) ALDH1A1IDO1KDM4EHPGDHSD17B10
SCHEMBL6721218 0.70 IMPDH2 (0.47) ALDH1A1MEN1KMT2AIDO1RAB9A
SCHEMBL3835052 0.70 CNR1 (0.33) ALDH1A1TUBB4ATUBBTUBA3CTUBA1B
SCHEMBL1325544 0.69 HSD17B10 (0.54) NISCHMTORADKALDH1A1MEN1
SCHEMBL3685297 0.69 ADRA2A (0.45) NISCHMTORADKALDH1A1MEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-5683999-A Cyclic urea HIV protease inhibitors THE DUPONT MERCK PHARMACEUTICAL COMPANY (US) 1997-11-04 US claimed
CN-113135909-B DPD inhibitor, preparation method thereof, pharmaceutical composition and application 北京深蓝泰医药科技有限公司 2024-03-19 CN disclosed
CN-114702443-B Process for preparing quinolone compounds and intermediates thereof 重庆文理学院 2023-09-19 CN disclosed
EP-2112150-B1 Improved raf inhibitors FORMA THERAPEUTICS INC (US) 2013-10-16 EP disclosed
US-8232283-B2 Raf inhibitors FORMA THERAPEUTICS, INC. (US) 2012-07-31 US disclosed
US-8044173-B2 Asymmetric synthesis of peptides UNIVERSITY OF READING (GB) 2011-10-25 US disclosed
US-20110257207-A1 RAF INHIBITORS AGENNIX USA INC (US) 2011-10-20 US disclosed
US-7678790-B2 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2010-03-16 US disclosed
WO-2009130015-A1 IMPROVED RAF INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 WO disclosed
WO-2009130016-A1 DIHYDROPTERIDINONES AS PLK INHIBITORS GPC BIOTECH AG (DE) 2009-10-29 WO disclosed
EP-2112150-A1 Improved raf inhibitors GPC Biotech AG (DE) 2009-10-28 EP disclosed
EP-2112152-A1 Dihydropteridinones as Plk Inhibitors GPC Biotech AG (DE) 2009-10-28 EP disclosed
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES UNIVERSITY OF READING (GB) 2008-11-13 US disclosed
US-20070155719-A1 Platelet ADP receptor inhibitors PORTOLA PHARMACEUTICALS, INC. (US) 2007-07-05 US disclosed
EP-1687288-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-08-09 EP disclosed
EP-1673090-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE Wyeth (US) 2006-06-28 EP disclosed
WO-2005037809-A1 SUBSTITUTED ARYL CYCLOALKANOL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 WO disclosed
WO-2005037283-A1 FUSED-ARYL AND HETEROARYL DERIVATIVES AND METHODS OF THEIR USE WYETH (US) 2005-04-28 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 (3 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-20110257207-A1 RAF INHIBITORS BRAF, RAF1, ARAF NISCH 1525/4885MTOR 890/4885ADK 514/4885
US-20070155719-A1 Platelet ADP receptor inhibitors GP6, P2RY6, PIGS NISCH 1873/4885MTOR 681/4885ADK 602/4885
US-20080281075-A1 ASYMMETRIC SYNTHESIS OF PEPTIDES PTMS, NGLY1, QPCT NISCH 1734/4885MTOR 3273/4885ADK 3184/4885

“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.