SCHEMBL9979356

SCHEMBL9979356

Clc1nc(-c2cccc(Br)c2)nc2cnccc12

nearest known ligand 0.45

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NPC1 O15118 2/20 0.43
RAB9A P51151 2/20 0.43
CYP19A1 P11511 1/20 0.42
DHPS P49366 1/20 0.41
LATS1 O95835 8/20 0.40
LATS2 Q9NRM7 6/20 0.40
EGFR P00533 1/20 0.40
ABCG2 Q9UNQ0 2/20 0.39
ABCB1 P08183 1/20 0.39
BIRC5 O15392 1/20 0.38
TGFBR1 P36897 1/20 0.38
GBA1 P04062 1/20 0.38
MEN1 O00255 1/20 0.38
ALDH1A1 P00352 1/20 0.38
MAPT P10636 1/20 0.38
HPGD P15428 1/20 0.38
TSHR P16473 1/20 0.38
HTT P42858 1/20 0.38
KMT2A Q03164 1/20 0.38
SMN1; SMN2 Q16637 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
SCHEMBL17904241 0.82 ABCG2 (0.55) NPC1RAB9ADHPSABCG2ABCB1
SCHEMBL14344402 0.82 LATS1 (0.55) LATS1LATS2MEN1ALDH1A1TSHR
SCHEMBL15645641 0.79 LATS1 (0.61) LATS1LATS2
SCHEMBL2162585 0.78 CYP11B1 (0.49) NPC1CYP19A1GBA1MEN1ALDH1A1
SCHEMBL30945487 0.75 NPC1 (0.46) NPC1RAB9ACYP19A1EGFRBIRC5
SCHEMBL9979137 0.75 PDE5A (0.55) LATS1LATS2GBA1MEN1ALDH1A1
SCHEMBL16183310 0.75 KMT2A (0.52) NPC1CYP19A1GBA1MEN1ALDH1A1
Hydrochloric Acid SCHEMBL7280022 0.74 PDE5A (0.52) NPC1CYP19A1GBA1MEN1ALDH1A1
SCHEMBL31463129 0.72 RAB9A (0.68) NPC1RAB9ACYP19A1BIRC5MEN1
SCHEMBL13312483 0.72 HTT (0.47) NPC1RAB9AABCG2ABCB1MEN1

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-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 US disclosed
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 US disclosed
US-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS COX CHRISTOPHER D (US) 2011-12-29 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-20110319409-A1 7-AZA-QUINAZOLINE PDE10 INHIBITORS PDE5A, PDE12, PDE7B NPC1 2992/4885RAB9A 94/4885CYP19A1 418/4885

“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.