SCHEMBL5114966

SCHEMBL5114966

Cc1sc2nc(-c3cnccn3)nc(NCc3ccc(F)cc3)c2c1C

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
SMN1; SMN2 Q16637 3/20 0.48
GAA P10253 1/20 0.47
RXFP1 Q9HBX9 1/20 0.47
KDM4E B2RXH2 5/20 0.46
ALDH1A1 P00352 5/20 0.46
LMNA P02545 2/20 0.46
PRKCI P41743 3/20 0.46
HPGD P15428 3/20 0.45
CYP1A2 P05177 1/20 0.42
CYP3A4 P08684 1/20 0.42
CYP2D6 P10635 1/20 0.42
CYP2C9 P11712 1/20 0.42
CYP2C19 P33261 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
CHRM4 P08173 1/20 0.41
CYP1A1 P04798 1/20 0.41
FLT3 P36888 1/20 0.40
POLB P06746 1/20 0.39
TERT O14746 1/20 0.38
ADORA2A P29274 1/20 0.38

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
SCHEMBL5113873 0.91 SMN1; SMN2 (0.54) SMN1; SMN2GAARXFP1KDM4EALDH1A1
SCHEMBL5121551 0.90 KDM4E (0.44) SMN1; SMN2GAARXFP1KDM4EALDH1A1
SCHEMBL7510478 0.86 ALDH1A1 (0.41) SMN1; SMN2GAARXFP1KDM4EALDH1A1
SCHEMBL5122734 0.86 MEN1 (0.48) SMN1; SMN2GAARXFP1KDM4EALDH1A1
SCHEMBL5130359 0.86 ADORA2A (0.51) SMN1; SMN2GAARXFP1KDM4EALDH1A1
SCHEMBL5128670 0.84 SMN1; SMN2 (0.44) SMN1; SMN2GAARXFP1KDM4EALDH1A1
SCHEMBL5122443 0.83 ESR1 (0.49) KDM4EALDH1A1HPGDCHRM4POLB
SCHEMBL5128741 0.83 POLB (0.58) SMN1; SMN2GAARXFP1ALDH1A1LMNA
SCHEMBL5114901 0.83 ALDH1A1 (0.47) SMN1; SMN2GAARXFP1KDM4EALDH1A1
SCHEMBL5120075 0.83 MAPT (0.45) SMN1; SMN2GAARXFP1KDM4EALDH1A1

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 SMN1; SMN2 3222/4885GAA 3377/4885RXFP1 1200/4885

“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.