SCHEMBL7210481

SCHEMBL7210481

N[C@@H](CNc1ncc(-c2cccc(C(F)(F)F)c2)c(-c2ccncc2)n1)Cc1ccccc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA1 P30542 2/20 0.52
ADORA2A P29274 1/20 0.52
PRKCI P41743 8/20 0.46
CDK2 P24941 6/20 0.46
AKT1 P31749 6/20 0.46
PRKCD Q05655 2/20 0.45
PRKCA P17252 1/20 0.45
PRKCH P24723 1/20 0.45
PRKCE Q02156 1/20 0.45
MAPK9 P45984 3/20 0.44
MAP4K4 O95819 2/20 0.44
CSNK1D P48730 2/20 0.44
CDC42BPA Q5VT25 2/20 0.44
MINK1 Q8N4C8 2/20 0.44
FRK P42685 1/20 0.44
CSNK1A1 P48729 1/20 0.44
MAP4K5 Q9Y4K4 1/20 0.44
SGK1 O00141 1/20 0.42
PIP4K2A P48426 1/20 0.42
PIK3CG P48736 1/20 0.42

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
SCHEMBL7210479 1.00 ADORA1 (0.52) ADORA1ADORA2APRKCICDK2AKT1
SCHEMBL7210499 1.00 ADORA1 (0.52) ADORA1ADORA2APRKCICDK2AKT1
Hydrochloric Acid SCHEMBL7216474 0.99 ADORA1 (0.51) ADORA1ADORA2APRKCICDK2AKT1
Hydrochloric Acid SCHEMBL7216480 0.99 ADORA1 (0.51) ADORA1ADORA2APRKCICDK2AKT1
Hydrochloric Acid SCHEMBL7216482 0.99 ADORA1 (0.51) ADORA1ADORA2APRKCICDK2AKT1
Hydrochloric Acid SCHEMBL7235704 0.94 ADORA1 (0.46) ADORA1ADORA2APRKCICDK2AKT1
SCHEMBL7216686 0.88 PRKCI (0.49) ADORA1PRKCIPRKCDPRKCAPRKCH
SCHEMBL7216693 0.88 PRKCI (0.49) ADORA1PRKCIPRKCDPRKCAPRKCH
SCHEMBL7216689 0.88 PRKCI (0.49) ADORA1PRKCIPRKCDPRKCAPRKCH
Hydrochloric Acid SCHEMBL7210186 0.87 PRKCI (0.49) ADORA1PRKCIPRKCDPRKCAPRKCH

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6610698-B2 Treatment of tumor necrosis factor-alpha, interleukin-1 beta, interleukin-6, and interleukin-8 mediated diseases AMGEN, INC. 2003-08-26 US disclosed
EP-1314732-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
EP-1314731-A2 Substituted pyrimidine compounds and their use AMGEN INC. (US) 2003-05-28 EP disclosed
US-20030069425-A1 Substituted pyrimidine compounds and methods of use AMGEN INC. 2003-04-10 US disclosed
US-6410729-B1 ANALGESICS; ANTIDIABETIC AGENTS; ANTIINFLAMMATORY AGENTS AMGEN INC. 2002-06-25 US disclosed
EP-0948497-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE Amgen inc. (US) 1999-10-13 EP disclosed
WO-1998024782-A2 SUBSTITUTED PYRIMIDINE COMPOUNDS AND THEIR USE AMGEN INC. (US) 1998-06-11 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 (1 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-20030069425-A1 Substituted pyrimidine compounds and methods of use DPYD, IL6, IL1B ADORA1 145/4885ADORA2A 188/4885PRKCI 3097/4885

“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.