SCHEMBL15050952

SCHEMBL15050952

CC(=O)Nc1cc(-c2cc(-c3nnc[nH]3)n(CC3CC3)c2)c(C)cn1

nearest known ligand 0.42

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
PIK3C3 Q8NEB9 11/20 0.42
CDK9 P50750 3/20 0.42
CCNT1 O60563 1/20 0.42
CDK4 P11802 1/20 0.42
CCND1 P24385 1/20 0.42
GABRG2 P18507 1/20 0.38
GABRB3 P28472 1/20 0.38
GABRA5 P31644 1/20 0.38
HTR1A P08908 1/20 0.35
HTR1D P28221 1/20 0.35
HTR1F P30939 1/20 0.35
ABL1 P00519 2/20 0.34
CRBN Q96SW2 1/20 0.33
MAP3K5 Q99683 1/20 0.33

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
SCHEMBL15051283 0.81 ABL1 (0.43) PIK3C3CDK9CCNT1CDK4CCND1
SCHEMBL15050809 0.81 PIK3C3 (0.52) PIK3C3
SCHEMBL15050990 0.80 ABL1 (0.42) PIK3C3CDK9CCNT1CDK4CCND1
SCHEMBL15050993 0.78 CDK9 (0.46) PIK3C3CDK9CCNT1CDK4CCND1
SCHEMBL15072424 0.68 CRBN (0.32) PIK3C3HTR1AHTR1DHTR1FABL1
SCHEMBL15051235 0.68 PIK3C3 (0.43) PIK3C3
SCHEMBL15072386 0.67 PIK3C3 (0.38) PIK3C3ABL1CRBN
SCHEMBL15050804 0.64 ABL1 (0.43) PIK3C3ABL1
SCHEMBL9108495 0.64 PIK3C3 (0.35) PIK3C3CDK9CCNT1HTR1AHTR1D
SCHEMBL9890604 0.64 PIK3C3 (0.45) PIK3C3HTR1AHTR1DHTR1F

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US claimed
WO-2013096637-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 WO disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 US disclosed
US-20130165483-A1 HETEROARYLS AND USES THEREOF MILLENNIUM PHARMACEUTICALS, INC. (US) 2013-06-27 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-20130165483-A1 HETEROARYLS AND USES THEREOF PIK3R5, PIK3R4, PIK3C2B PIK3C3 143/4885CDK9 473/4885CCNT1 932/4885

“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.