SCHEMBL11919141

SCHEMBL11919141

CCc1ncc(N2CCNCC2)o1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 2/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ ADRB2 P07550 2/20 0.37
▸ NCF1 P14598 1/20 0.37
▸ PLD1 Q13393 1/20 0.37
▸ CHRNB2 P17787 4/20 0.37
▸ CHRNA4 P43681 4/20 0.37
▸ HTR2C P28335 4/20 0.36
▸ HTR1A P08908 2/20 0.36
▸ HTR2A P28223 2/20 0.36
▸ MEN1 O00255 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36
▸ CYP3A4 P08684 1/20 0.36
▸ CYP2C9 P11712 1/20 0.36
▸ HPGD P15428 1/20 0.36
▸ CYP2C19 P33261 1/20 0.36
▸ KMT2A Q03164 1/20 0.36
▸ HSD17B10 Q99714 1/20 0.36
▸ DRD2 P14416 1/20 0.36
▸ DRD4 P21917 1/20 0.36

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
SCHEMBL15219301 0.77 CHRNB2 (0.42) KDM4EALDH1A1ADRB2CHRNB2CHRNA4
SCHEMBL11915978 0.73 KDM4E (0.37) KDM4EALDH1A1ADRB2PLD1CHRNB2
SCHEMBL19364784 0.72 MAPT (0.40) KDM4EALDH1A1MEN1KMT2A
SCHEMBL16578753 0.69 GPR4 (0.38) KDM4EALDH1A1ADRB2NCF1PLD1
SCHEMBL12146373 0.69 KDM4E (0.45) KDM4EALDH1A1PLD1CHRNB2CHRNA4
SCHEMBL11919161 0.68 SOS1 (0.41) ALDH1A1MEN1KMT2A
SCHEMBL714929 0.67 TAAR1 (0.61) KDM4EALDH1A1HTR2CHTR1AHTR2A
SCHEMBL12147196 0.67 CHRNB2 (0.58) ADRB2NCF1PLD1CHRNB2CHRNA4
Hydrochloric Acid SCHEMBL16196796 0.66 TAAR1 (0.59) KDM4EALDH1A1HTR2CHTR1AHTR2A
SCHEMBL11919280 0.64 HTR2C (0.60) KDM4EALDH1A1ADRB2CHRNB2CHRNA4

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-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. 2020-10-08 — — US disclosed
US-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2012-08-09 — — US disclosed
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS ARIAD PHARMACEUTICALS, INC. (US) 2011-11-24 — — 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-20120202776-A1 PHOSPHORUS DERIVATIVES AS KINASE INHIBITORS PHKA1, PIK3CA, PHKA2 KDM4E 1650/4885ALDH1A1 4596/4885ADRB2 3350/4885
US-20200317705-A1 PHOSPHOROUS DERIVATIVES AS KINASE INHIBITORS MAP3K6, PIK3CA, MAP3K20 KDM4E 1164/4885ALDH1A1 4677/4885ADRB2 4440/4885
US-20110288078-A1 PYRAZINOPYRAZINES AND DERIVATIVES AS KINASE INHIBITORS MAP3K5, MAP3K15, MAP4K2 KDM4E 1170/4885ALDH1A1 3173/4885ADRB2 1406/4885

“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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