SCHEMBL18626535

SCHEMBL18626535

CC1CCC(NCc2cc(F)cc(C(C)C)c2)CC1

nearest known ligand 0.43

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
▸ TSHR P16473 2/20 0.43
▸ L3MBTL1 Q9Y468 1/20 0.43
▸ CHEK1 O14757 1/20 0.38
▸ MAP4K4 O95819 1/20 0.37
▸ ALDH1A1 P00352 2/20 0.37
▸ CARM1 Q86X55 1/20 0.36
▸ PRMT6 Q96LA8 1/20 0.36
▸ LTA4H P09960 1/20 0.36
▸ KDM4E B2RXH2 1/20 0.35
▸ POLB P06746 1/20 0.35
▸ OPRL1 P41146 1/20 0.34
▸ KCNH2 Q12809 1/20 0.34

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
SCHEMBL19016213 0.94 ALDH1A1 (0.41) TSHRL3MBTL1MAP4K4ALDH1A1CARM1
SCHEMBL19008167 0.88 ALDH1A1 (0.45) TSHRMAP4K4ALDH1A1CARM1PRMT6
SCHEMBL18626597 0.88 ALDH1A1 (0.49) TSHRMAP4K4ALDH1A1KDM4EPOLB
SCHEMBL19008163 0.87 LMNA (0.37) TSHRMAP4K4ALDH1A1CARM1PRMT6
SCHEMBL18626596 0.84 MAP4K4 (0.45) TSHRMAP4K4ALDH1A1CARM1PRMT6
SCHEMBL15587409 0.83 MAP4K4 (0.47) CHEK1MAP4K4CARM1PRMT6OPRL1
SCHEMBL19008146 0.82 MAP4K4 (0.44) TSHRMAP4K4ALDH1A1CARM1PRMT6
SCHEMBL15587596 0.81 TSHR (0.46) TSHRL3MBTL1CHEK1MAP4K4ALDH1A1
SCHEMBL19008155 0.80 MAP4K4 (0.46) MAP4K4ALDH1A1CARM1PRMT6KDM4E
SCHEMBL19008147 0.78 ALDH1A1 (0.47) TSHRL3MBTL1CHEK1ALDH1A1CARM1

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-9592235-B2 Aminoquinazoline and pyridopyrimidine derivatives GENENTECH, INC. (US) 2017-03-14 — — 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 (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 TSHR 3415/4885L3MBTL1 3580/4885CHEK1 891/4885

“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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