SCHEMBL4303322

SCHEMBL4303322

Oc1ccc(-c2nccnn2)cc1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 9/20 0.56
KMT2A Q03164 9/20 0.56
NPC1 O15118 6/20 0.56
MAPT P10636 6/20 0.56
RAB9A P51151 4/20 0.56
SMN1; SMN2 Q16637 3/20 0.56
USP2 O75604 1/20 0.56
TP53 P04637 1/20 0.56
PKM P14618 1/20 0.56
NFKB1 P19838 1/20 0.56
NFKB2 Q00653 1/20 0.56
RELA Q04206 1/20 0.56
ATM Q13315 1/20 0.46
ESR1 P03372 2/20 0.42
ESR2 Q92731 1/20 0.42
CYP19A1 P11511 1/20 0.40
HSD17B1 P14061 1/20 0.39
NTSR1 P30989 1/20 0.38
CCNB2 O95067 1/20 0.38
CDK1 P06493 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
SCHEMBL19435586 0.89 CLK4 (0.38) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL2500804 0.80 KMT2A (0.47) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL10731993 0.78 MAPT (0.46) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL6181561 0.77 MAPT (0.46) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL14656056 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL6484311 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL30186716 0.77 NPC1 (0.52) NPC1RAB9ASMN1; SMN2NFKB1NFKB2
SCHEMBL2479622 0.77 MEN1 (0.62) MEN1KMT2ANPC1MAPTRAB9A
SCHEMBL23630338 0.76 HSD17B1 (0.62) ESR1ESR2CYP19A1HSD17B1CCNB2
Hydrochloric Acid SCHEMBL15621990 0.75 MEN1 (0.60) MEN1KMT2ANPC1MAPTRAB9A

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-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-12-24 US disclosed
US-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives INSTITUTE FOR ONEWORLD HEALTH 2009-10-22 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 (2 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-20090264433-A1 Compounds, Compositions and Methods Comprising Triazine Derivatives CFTR, PKD1, PKD2 MEN1 2901/4885KMT2A 4503/4885NPC1 296/4885
US-20090318429-A1 Compounds, Compositions and Methods Comprising Heteroaromatic Derivatives CFTR, PKD1, PKD2 MEN1 2895/4885KMT2A 4715/4885NPC1 233/4885

“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.