SCHEMBL10151108

SCHEMBL10151108

Cc1cc2c(C)n(C)nc2cc1C(C)C

nearest known ligand 0.32

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
▸ DHFR P00374 1/20 0.31
▸ ADORA2A P29274 1/20 0.31
▸ ADORA2B P29275 1/20 0.31
▸ ALDH1A1 P00352 2/20 0.30
▸ GPR55 Q9Y2T6 1/20 0.30
▸ TSHR P16473 1/20 0.30
▸ NPSR1 Q6W5P4 1/20 0.30
▸ BTK Q06187 1/20 0.30

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
SCHEMBL26482497 0.81 EGLN1 (0.36) —
SCHEMBL17348186 0.80 ADORA2A (0.41) ADORA2AADORA2BALDH1A1BTK
SCHEMBL13106281 0.73 CHRM4 (0.38) ADORA2AADORA2BBTK
SCHEMBL13106286 0.73 L3MBTL1 (0.43) ADORA2AADORA2B
SCHEMBL10151107 0.73 ADORA2A (0.60) ADORA2AADORA2B
SCHEMBL22357763 0.73 LMNA (0.37) ALDH1A1BTK
SCHEMBL15341789 0.73 RAB9A (0.37) ALDH1A1
SCHEMBL13106332 0.72 L3MBTL1 (0.42) ADORA2AADORA2BALDH1A1
SCHEMBL13106328 0.72 ADORA2A (0.35) ADORA2AADORA2BBTK
SCHEMBL26741175 0.71 ADORA2A (0.40) ADORA2AADORA2B

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS KYOTO UNIVERSITY (JP) 2018-01-04 — — US disclosed
US-20120277258-A1 Chemical Compounds LEO OSPREY LIMITED (JE) 2012-11-01 — — US disclosed
US-8114885-B2 Pazopanib hydrochloride and synthesis, chemical intermediates, and dosage forms thereof; anticancer; colon cancer, breast cancer GLAXOSMITHKLINE LLC (US) 2012-02-14 — — US disclosed
US-7858626-B2 Pyrimidineamines as angiogenesis modulators GLAXOSMITHKLINE LLC (US) 2010-12-28 — — US disclosed
US-20100105712-A1 CHEMICAL COMPOUNDS SMITHKLINE BEECHAM CORPORATION (US) 2010-04-29 — — US disclosed
US-20100010022-A1 CANCER TREATMENT METHOD SMITHKLINE BEECHAM CORPORATION (US) 2010-01-14 — — US disclosed
US-20070292513-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-12-20 — — US disclosed
US-20070270427-A1 CHEMICAL COMPOUNDS NOVARTIS AG (CH) 2007-11-22 — — US disclosed
US-20070208023-A1 Cancer Treatment Method SMITHKLINE BEECHAM CORPORATION (US) 2007-09-06 — — US disclosed
US-7262203-B2 Pyrimidineamines as angiogenesis modulators SMITHKLINE BEECHAM CORPORATION (US) 2007-08-28 — — US disclosed
US-20070015756-A1 Chemical compounds NOVARTIS AG (CH) 2007-01-18 — — 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 (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-20100010022-A1 CANCER TREATMENT METHOD TP53, TYMP, TOP2A DHFR 22/4885ADORA2A 1110/4885ADORA2B 1349/4885
US-20070208023-A1 Cancer Treatment Method TP53, TYMP, TOP2A DHFR 22/4885ADORA2A 1110/4885ADORA2B 1349/4885
US-20070015756-A1 Chemical compounds KDR, FLT4, FLT1 DHFR 15/4885ADORA2A 482/4885ADORA2B 704/4885
US-20100105712-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 DHFR 15/4885ADORA2A 482/4885ADORA2B 704/4885
US-20180000771-A1 AGENT FOR PREVENTING AND/OR TREATING AMYOTROPHIC LATERAL SCLEROSIS WEE2, WEE1, ERBB2 DHFR 1867/4885ADORA2A 1442/4885ADORA2B 371/4885
US-20120277258-A1 Chemical Compounds KDR, FLT4, FLT1 DHFR 15/4885ADORA2A 482/4885ADORA2B 704/4885
US-20070270427-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 DHFR 15/4885ADORA2A 482/4885ADORA2B 704/4885
US-20070292513-A1 CHEMICAL COMPOUNDS KDR, FLT4, FLT1 DHFR 15/4885ADORA2A 482/4885ADORA2B 704/4885

“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.

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