SCHEMBL19697985

SCHEMBL19697985

CN(C)C=CC(=O)c1cc(Br)n2ncnc(N)c12

nearest known ligand 0.38

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ CSNK2A2 P19784 7/20 0.38
▸ CSNK2A1 P68400 7/20 0.38
▸ ALDH1A1 P00352 4/20 0.37
▸ KDM4E B2RXH2 1/20 0.37
▸ KMT2A Q03164 1/20 0.37
▸ RAB9A P51151 3/20 0.37
▸ LMNA P02545 2/20 0.37
▸ RECQL P46063 2/20 0.37
▸ MAPT P10636 5/20 0.36
▸ TDP1 Q9NUW8 1/20 0.36
▸ POLB P06746 1/20 0.35
▸ HTT P42858 1/20 0.34
▸ GAA P10253 1/20 0.34
▸ NPC1 O15118 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ NTRK1 P04629 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
SCHEMBL19280638 1.00 CSNK2A2 (0.38) CSNK2A2CSNK2A1ALDH1A1KDM4EKMT2A
SCHEMBL21199390 0.79 CSNK2A2 (0.40) CSNK2A2CSNK2A1NTRK1
SCHEMBL19279707 0.77 CSNK2A2 (0.39) CSNK2A2CSNK2A1NTRK1
SCHEMBL14651915 0.77 NTRK1 (0.38) CSNK2A2CSNK2A1KDM4ENTRK1
SCHEMBL12283330 0.77 CSNK2A2 (0.43) CSNK2A2CSNK2A1NTRK1
SCHEMBL12537596 0.76 NTRK1 (0.41) CSNK2A2CSNK2A1KMT2ANTRK1
SCHEMBL12285417 0.72 KDM4E (0.45) CSNK2A2CSNK2A1ALDH1A1KDM4EKMT2A
SCHEMBL19279752 0.72 CSNK2A2 (0.35) CSNK2A2CSNK2A1NTRK1
SCHEMBL19710827 0.71 CSNK2A2 (0.34) CSNK2A2CSNK2A1NTRK1
SCHEMBL12537481 0.71 NTRK1 (0.51) CSNK2A2CSNK2A1LMNAPOLBNPC1

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-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors BRISTOL-MYERS SQUIBB COMPANY (US) 2018-07-17 — — US disclosed
US-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — US disclosed
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS BRISTOL MYERS SQUIBB CO (US) 2017-12-14 — — 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 (3 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-20170355707-A1 BICYCLIC HETEROARYL AMINE COMPOUNDS PIK3R3, JAK2, JAK3 CSNK2A2 601/4885CSNK2A1 515/4885ALDH1A1 3131/4885
US-10023576-B2 Heteroaryl substituted pyrrolotriazine amine compounds as PI3K inhibitors PIK3R3, PIK3R5, PIK3R1 CSNK2A2 634/4885CSNK2A1 620/4885ALDH1A1 4203/4885
US-20170355698-A1 HETEROARYL SUBSTITUTED PYRROLOTRIAZINE AMINE COMPOUNDS AS PI3K INHIBITORS PIK3R3, PIK3R5, PIK3R1 CSNK2A2 634/4885CSNK2A1 620/4885ALDH1A1 4203/4885

“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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