SCHEMBL7126957

SCHEMBL7126957

O=C(c1cccc(-c2cc3nccc(Cl)c3s2)n1)N1CCOCC1

nearest known ligand 0.44

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
HTR2C P28335 8/20 0.44
RAB9A P51151 8/20 0.43
NPC1 O15118 7/20 0.43
ERN1 O75460 1/20 0.43
SMN1; SMN2 Q16637 4/20 0.43
TP53 P04637 3/20 0.43
MAPK1 P28482 2/20 0.43
HPGD P15428 1/20 0.41
ALDH1A1 P00352 3/20 0.40
CYP1A2 P05177 1/20 0.40
GRM5 P41594 1/20 0.40
MAPT P10636 1/20 0.40
PKM P14618 1/20 0.40
HSD11B1 P28845 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
SCHEMBL7123516 0.88 ERN1 (0.43) RAB9ANPC1ERN1SMN1; SMN2HPGD
SCHEMBL2206333 0.78 HPGD (0.51) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL5838441 0.78 CNR1 (0.56) HTR2CRAB9ANPC1SMN1; SMN2TP53
SCHEMBL7118397 0.77 ALDH1A1 (0.43) RAB9ANPC1SMN1; SMN2TP53HPGD
SCHEMBL7119468 0.76 EGFR (0.63)
SCHEMBL7667538 0.75 HPGD (0.38) RAB9ANPC1SMN1; SMN2TP53MAPK1
SCHEMBL5014381 0.75 SMN1; SMN2 (0.64) HTR2CRAB9ANPC1ERN1SMN1; SMN2
SCHEMBL5014387 0.74 ERN1 (0.47) HTR2CRAB9ANPC1ERN1SMN1; SMN2
SCHEMBL7123648 0.71 GRM5 (0.41) RAB9ANPC1GRM5
SCHEMBL7123672 0.70 MCHR1 (0.41) RAB9ASMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2003-08-28 US disclosed
US-6492383-B1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents PFIZER INC. 2002-12-10 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-20030162795-A1 Thienopyrimidine and thienopyridine derivatives useful as anticancer agents TYMP, DPYD, HPRT1 HTR2C 3112/4885RAB9A 2707/4885NPC1 2221/4885

“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.