SCHEMBL5124002

SCHEMBL5124002

Cc1sc2nc(-c3cnccn3)nc(NCCc3ccccc3)c2c1Cl

nearest known ligand 0.53

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
METAP1 P53582 4/20 0.53
METAP2 P50579 2/20 0.53
ADORA2A P29274 1/20 0.45
ADORA1 P30542 1/20 0.45
JAK2 O60674 1/20 0.43
PPP1CA P62136 1/20 0.43
KMT2A Q03164 1/20 0.43
TDP1 Q9NUW8 1/20 0.43
L3MBTL1 Q9Y468 1/20 0.43
PRKCI P41743 2/20 0.43
PDE5A O76074 2/20 0.40
GBA1 P04062 2/20 0.40
HIF1A Q16665 1/20 0.40

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
SCHEMBL5115192 0.90 PRKCI (0.50) METAP1METAP2ADORA2AADORA1JAK2
SCHEMBL5122690 0.90 ADORA2A (0.46) METAP1METAP2ADORA2AADORA1KMT2A
SCHEMBL5115274 0.89 METAP1 (0.68) METAP1METAP2ADORA2AADORA1JAK2
SCHEMBL5122881 0.85 GBA1 (0.58) METAP1METAP2KMT2AL3MBTL1PRKCI
SCHEMBL5122356 0.84 PRKCI (0.60) METAP1METAP2PRKCIPDE5A
SCHEMBL5123210 0.83 PDE5A (0.39) METAP1METAP2ADORA2AADORA1KMT2A
SCHEMBL7614393 0.83 ALDH1A1 (0.36) METAP1METAP2ADORA2AADORA1PRKCI
SCHEMBL5114977 0.82 METAP1 (0.47) METAP1METAP2ADORA2AADORA1JAK2
SCHEMBL5121551 0.81 KDM4E (0.44) ADORA2AADORA1PRKCI
SCHEMBL5809740 0.81 PDE5A (0.37) METAP1METAP2ADORA2AADORA1KMT2A

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 3 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-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 METAP1 954/4885METAP2 860/4885ADORA2A 1406/4885

“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.