SCHEMBL5115192

SCHEMBL5115192

Cc1sc2nc(-c3cnccn3)nc(NCCc3ccccc3)c2c1C

nearest known ligand 0.52

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
PRKCI P41743 4/20 0.50
METAP1 P53582 3/20 0.47
METAP2 P50579 2/20 0.47
SMN1; SMN2 Q16637 3/20 0.47
LMNA P02545 2/20 0.47
HTT P42858 2/20 0.47
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
JAK2 O60674 1/20 0.45
PPP1CA P62136 1/20 0.45
KMT2A Q03164 1/20 0.45
TDP1 Q9NUW8 1/20 0.45
L3MBTL1 Q9Y468 1/20 0.45
GALR3 O60755 1/20 0.42
ALDH1A1 P00352 1/20 0.42
NR2F2 P24468 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
SCHEMBL5124002 0.90 METAP1 (0.53) PRKCIMETAP1METAP2ADORA2AADORA1
SCHEMBL5113873 0.90 SMN1; SMN2 (0.54) PRKCISMN1; SMN2LMNAHTTADORA2A
SCHEMBL5123688 0.89 METAP1 (0.61) PRKCIMETAP1METAP2SMN1; SMN2LMNA
SCHEMBL5121767 0.84 GBA1 (0.60) PRKCISMN1; SMN2LMNAHTTL3MBTL1
SCHEMBL5114977 0.84 METAP1 (0.47) METAP1METAP2SMN1; SMN2HTTADORA2A
SCHEMBL5116180 0.83 PRKCI (0.72) PRKCISMN1; SMN2LMNAHTT
SCHEMBL5114007 0.82 PRKCI (0.43) PRKCISMN1; SMN2LMNAHTTADORA2A
SCHEMBL7622357 0.82 ALDH1A1 (0.46) PRKCISMN1; SMN2LMNAHTTADORA2A
SCHEMBL5118039 0.82 ADORA2A (0.51) METAP1METAP2ADORA2AADORA1JAK2
SCHEMBL5114966 0.80 SMN1; SMN2 (0.48) PRKCISMN1; SMN2LMNAHTTADORA2A

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 PRKCI 1513/4885METAP1 954/4885METAP2 860/4885

“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.