SCHEMBL9979126

SCHEMBL9979126

O=c1[nH]c(-c2cccc(Br)c2)nc2cnccc12

nearest known ligand 0.71

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 8/20 0.71
▸ MAPT P10636 2/20 0.69
▸ HPGD P15428 2/20 0.54
▸ ALDH1A1 P00352 2/20 0.51
▸ ALOX15 P16050 1/20 0.51
▸ HSD17B10 Q99714 1/20 0.51
▸ APOBEC3G Q9HC16 1/20 0.51
▸ TNKS O95271 2/20 0.50
▸ TNKS2 Q9H2K2 2/20 0.50
▸ CYP1A1 P04798 1/20 0.50
▸ CYP1B1 Q16678 1/20 0.50
▸ NPC1 O15118 1/20 0.50
▸ RAB9A P51151 1/20 0.50
▸ PARP1 P09874 1/20 0.49
▸ KDM5A P29375 1/20 0.47
▸ PDE5A O76074 1/20 0.46
▸ GUSB P08236 1/20 0.46
▸ HDAC3 O15379 1/20 0.44
▸ HDAC1 Q13547 1/20 0.44
▸ HDAC2 Q92769 1/20 0.44

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
SCHEMBL17904243 0.83 TNKS (0.71) MAPTHPGDALDH1A1ALOX15HSD17B10
SCHEMBL14344501 0.83 KDM4C (1.00) KDM4CMAPTHPGDALDH1A1ALOX15
SCHEMBL30527145 0.82 KDM4C (1.00) KDM4CMAPTHPGDALDH1A1ALOX15
SCHEMBL20320595 0.82 KDM4C (1.00) KDM4CMAPTHPGDALDH1A1ALOX15
SCHEMBL259476 0.81 KDM4C (0.66) KDM4CMAPTTNKSTNKS2NPC1
Hydrochloric Acid SCHEMBL20303157 0.81 KDM4C (0.97) KDM4CMAPTHPGDALDH1A1ALOX15
Hydrochloric Acid SCHEMBL30002977 0.81 KDM4C (0.97) KDM4CMAPTHPGDALDH1A1ALOX15
SCHEMBL15645718 0.80 KDM4C (0.82) KDM4CMAPTHPGDALDH1A1ALOX15
SCHEMBL17829733 0.79 NPC1 (0.64) MAPTHPGDALDH1A1TNKSTNKS2
SCHEMBL259319 0.77 KDM4C (0.60) KDM4CMAPTHPGDALDH1A1ALOX15

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 KDM4C 1100/4885MAPT 2743/4885HPGD 227/4885

“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.

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