SCHEMBL5115396

SCHEMBL5115396

CCc1cc2c(NCCc3ccccc3)nc(-c3cnccn3)nc2s1

nearest known ligand 0.55

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ADORA2A P29274 1/20 0.55
ADORA1 P30542 1/20 0.55
PRKCI P41743 3/20 0.53
METAP1 P53582 3/20 0.49
JAK2 O60674 1/20 0.49
PPP1CA P62136 1/20 0.49
KMT2A Q03164 1/20 0.49
TDP1 Q9NUW8 1/20 0.49
L3MBTL1 Q9Y468 1/20 0.49
ICAM1 P05362 1/20 0.47
SELE P16581 1/20 0.47
VCAM1 P19320 1/20 0.47
PDE5A O76074 3/20 0.45
GBA1 P04062 3/20 0.45
MEN1 O00255 1/20 0.45
METAP2 P50579 2/20 0.44
KDM4E B2RXH2 2/20 0.43
ALDH1A1 P00352 1/20 0.43
HSD17B10 Q99714 1/20 0.43
MAPK1 P28482 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
SCHEMBL5123220 0.90 ICAM1 (0.59) ADORA2AADORA1PRKCIKMT2AICAM1
SCHEMBL5118039 0.89 ADORA2A (0.51) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5115723 0.89 METAP1 (0.64) ADORA2AADORA1PRKCIMETAP1JAK2
SCHEMBL5122201 0.87 ADORA2A (0.51) ADORA2AADORA1METAP1JAK2PPP1CA
SCHEMBL5127490 0.86 ADORA2A (0.48) ADORA2AADORA1PRKCIMETAP1JAK2
SCHEMBL5122806 0.86 GBA1 (0.64) ADORA2AADORA1PRKCIKMT2APDE5A
SCHEMBL5120106 0.85 PRKCI (0.73) ADORA2AADORA1PRKCIICAM1SELE
SCHEMBL7615854 0.84 PRKCI (0.47) ADORA2AADORA1PRKCIMETAP1JAK2
SCHEMBL5123081 0.84 PRKCI (0.47) ADORA2AADORA1PRKCIPDE5AKDM4E
SCHEMBL7518453 0.83 METAP1 (0.57) ADORA2AADORA1PRKCIMETAP1JAK2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20080045529-A1 Use Of Thienopyrimidines MERCK PATENT GMBH (DE) 2008-02-21 US disclosed
US-6432950-B1 ANTICANCER AGENTS; KILLING CANCER CELLS CELL PATHWAYS 2002-08-13 US disclosed
US-6133271-A Method for inhibiting neoplastic cells and related conditions by exposure thienopyrimidine derivatives CELL PATHWAYS, INC. (US) 2000-10-17 US disclosed
US-6110920-A TREATMENT OF CARDIOVASCULAR DISORDERS AND IMPOTENCY MERCK PATENT GESELLSCHAFT MIT BESCHRANKTER HAFTUNG (DE) 2000-08-29 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 (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-20080045529-A1 Use Of Thienopyrimidines TIE1, DPYD, TK2 ADORA2A 1406/4885ADORA1 1249/4885PRKCI 1513/4885

“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.