SCHEMBL18626504

SCHEMBL18626504

CC(C)c1cc(F)cc(CN2CCN(C)CC2)c1

nearest known ligand 0.46

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
▸ LMNA P02545 1/20 0.46
▸ ALDH1A1 P00352 2/20 0.45
▸ KDM4E B2RXH2 1/20 0.45
▸ MAPT P10636 1/20 0.45
▸ MC4R P32245 2/20 0.45
▸ MAP4K4 O95819 1/20 0.43
▸ CHKA P35790 4/20 0.41
▸ HTR6 P50406 2/20 0.41
▸ CYP2D6 P10635 2/20 0.41
▸ CYP3A4 P08684 1/20 0.41
▸ NTRK1 P04629 1/20 0.41
▸ TNKS O95271 1/20 0.39
▸ CYP2C9 P11712 1/20 0.39
▸ ALOX15 P16050 1/20 0.39
▸ TSHR P16473 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ MPO P05164 1/20 0.39

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
SCHEMBL19008143 0.87 ALDH1A1 (0.49) LMNAALDH1A1MAP4K4CYP2D6CYP2C9
SCHEMBL10819376 0.85 MC4R (0.55) LMNAALDH1A1KDM4EMAPTMC4R
SCHEMBL18626469 0.84 MAP4K4 (0.47) MAP4K4
SCHEMBL25592353 0.83 LMNA (0.47) LMNAALDH1A1KDM4EMAPTMC4R
SCHEMBL18626468 0.81 HRH3 (0.51) ALDH1A1MAP4K4CYP2D6CYP2C9ALOX15
SCHEMBL21902422 0.81 CHKA (0.49) LMNAALDH1A1KDM4EMAPTMC4R
SCHEMBL18626531 0.81 KDM4E (0.49) ALDH1A1KDM4EMAPTMAP4K4CYP2D6
SCHEMBL18626533 0.80 MAP4K4 (0.50) ALDH1A1KDM4EMAP4K4CYP2D6CYP2C9
SCHEMBL19008145 0.80 MAP4K4 (0.52) ALDH1A1KDM4EMAP4K4CYP2D6CYP2C9
SCHEMBL18672925 0.79 CHKA (0.48) LMNAALDH1A1KDM4EMAPTMC4R

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 LMNA 3432/4885ALDH1A1 586/4885KDM4E 1052/4885

“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.

Send feedback