SCHEMBL16285449

SCHEMBL16285449

Cc1ccc(-c2n[nH]c(=O)[nH]2)c(F)c1

nearest known ligand 0.41

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
BTK Q06187 8/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
ALDH1A1 P00352 1/20 0.40
THRB P10828 1/20 0.40
HPGD P15428 1/20 0.40
PDE9A O76083 1/20 0.39
GRM2 Q14416 1/20 0.38
AMY1A P0DUB6 1/20 0.37
DHODH Q02127 2/20 0.36
PDE3B Q13370 3/20 0.36
PDE3A Q14432 3/20 0.36
NPC1 O15118 1/20 0.35
ALOX15 P16050 1/20 0.35
RAB9A P51151 1/20 0.35

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
SCHEMBL16278424 0.80 AKR1B1 (0.42) BTKMEN1KMT2AHPGDAMY1A
SCHEMBL16285443 0.73 ATM (0.43) MEN1KMT2AALDH1A1THRBHPGD
SCHEMBL14243388 0.71 AMY1A (0.35) MEN1KMT2AALDH1A1THRBHPGD
SCHEMBL13520606 0.71 GRM2 (0.44) MEN1KMT2AALDH1A1THRBHPGD
SCHEMBL8286179 0.71 BTK (0.64) BTKMEN1KMT2ARAB9A
SCHEMBL16283833 0.70 BTK (0.41) BTKHPGD
SCHEMBL13983093 0.70 ESR2 (0.47) BTKALDH1A1HPGDAMY1A
SCHEMBL15082480 0.69 NISCH (0.55) MEN1KMT2AALDH1A1NPC1RAB9A
SCHEMBL8268404 0.69 BTK (0.61) BTKNPC1RAB9A
SCHEMBL14345678 0.69 HSP90AA1 (0.45) BTKMEN1KMT2AALDH1A1HPGD

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-9193736-B2 PDE 10a inhibitors for the treatment of type II diabetes JANSSEN PHARMACEUTICA, NV (BE) 2015-11-24 US disclosed
US-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes JANSSEN PHARMACEUTICA, NV (BE) 2014-12-11 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-20140364413-A1 PDE 10a Inhibitors for the Treatment of Type II Diabetes PDE2A, PDE3B, PDE3A BTK 2846/4885MEN1 3624/4885KMT2A 1978/4885

“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.