SCHEMBL19008167

SCHEMBL19008167

CC(C)c1cc(F)cc(CNC2CCC2)c1

nearest known ligand 0.45

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ ALDH1A1 P00352 4/20 0.45
▸ TSHR P16473 1/20 0.45
▸ POLB P06746 2/20 0.42
▸ KDM4E B2RXH2 1/20 0.42
▸ MAP4K4 O95819 2/20 0.42
▸ HRH3 Q9Y5N1 1/20 0.39
▸ KCNH2 Q12809 2/20 0.39
▸ PABPC1 P11940 1/20 0.38
▸ HTT P42858 1/20 0.38
▸ CARM1 Q86X55 1/20 0.38
▸ PRMT6 Q96LA8 1/20 0.38
▸ CYP2D6 P10635 1/20 0.38
▸ GRIN2B Q13224 1/20 0.38
▸ KMT2A Q03164 2/20 0.37
▸ MAPT P10636 1/20 0.37
▸ NPSR1 Q6W5P4 1/20 0.37
▸ MEN1 O00255 1/20 0.37

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
SCHEMBL18626597 0.97 ALDH1A1 (0.49) ALDH1A1TSHRPOLBKDM4EMAP4K4
SCHEMBL19016213 0.94 ALDH1A1 (0.41) ALDH1A1TSHRPOLBKDM4EMAP4K4
SCHEMBL18626535 0.88 TSHR (0.43) ALDH1A1TSHRPOLBKDM4EMAP4K4
SCHEMBL19008163 0.87 LMNA (0.37) ALDH1A1TSHRPOLBKDM4EMAP4K4
SCHEMBL18626596 0.87 MAP4K4 (0.45) ALDH1A1TSHRMAP4K4CARM1PRMT6
SCHEMBL15587409 0.86 MAP4K4 (0.47) MAP4K4CARM1PRMT6KMT2AMEN1
SCHEMBL19008146 0.85 MAP4K4 (0.44) ALDH1A1TSHRMAP4K4CARM1PRMT6
SCHEMBL28469040 0.84 ALDH1A1 (0.51) ALDH1A1TSHRPOLBKDM4EMAP4K4
SCHEMBL19008155 0.82 MAP4K4 (0.46) ALDH1A1POLBKDM4EMAP4K4KCNH2
SCHEMBL18626507 0.81 OPRL1 (0.43) TSHRKDM4EHTTCARM1PRMT6

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-9855269-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2018-01-02 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — US disclosed
US-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES GENENTECH, INC. (US) 2017-06-22 — — 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 (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-20170173026-A1 AMINOQUINAZOLINE AND PYRIDOPYRIMIDINE DERIVATIVES FLT4, FLT1, KDR ALDH1A1 586/4885TSHR 3415/4885POLB 1697/4885

“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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