SCHEMBL18227018

SCHEMBL18227018

CN1CCN(c2nc3cc(N(C)C)ccc3cc2-c2ccccc2F)CC1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HRH4 Q9H3N8 7/20 0.48
▸ KDM4E B2RXH2 2/20 0.46
▸ TP53 P04637 2/20 0.46
▸ CYP3A4 P08684 2/20 0.46
▸ CYP2D6 P10635 2/20 0.46
▸ MAPK1 P28482 2/20 0.46
▸ HSD17B10 Q99714 2/20 0.46
▸ ALDH1A1 P00352 1/20 0.46
▸ MAPT P10636 1/20 0.46
▸ HPGD P15428 1/20 0.46
▸ TSHR P16473 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ HTR3B O95264 3/20 0.41
▸ HTR3A P46098 3/20 0.41
▸ HTR3E A5X5Y0 2/20 0.41
▸ HTR3D Q70Z44 2/20 0.41
▸ HTR3C Q8WXA8 2/20 0.41
▸ CYP1A2 P05177 1/20 0.40
▸ CYP2C9 P11712 1/20 0.40
▸ CYP2C19 P33261 1/20 0.40

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
SCHEMBL16739386 0.75 TERT (0.49) KDM4EHSD17B10ALDH1A1MAPTHPGD
SCHEMBL16739391 0.75 TERT (0.49) MAPTTERTAPPMEN1KMT2A
SCHEMBL18226915 0.73 TERT (0.46) ALDH1A1MAPTTERTAPP
SCHEMBL16739382 0.67 EGFR (0.48) CYP1A2TERTAPP
SCHEMBL1084026 0.67 HIF1A (0.76) HRH4KDM4ETP53CYP3A4CYP2D6
SCHEMBL18227073 0.66 TERT (0.47) TERTAPPMEN1KMT2A
SCHEMBL3688185 0.66 HRH4 (0.61) HRH4KDM4ETP53CYP3A4CYP2D6
SCHEMBL27949257 0.66 HRH4 (0.59) HRH4KDM4EALDH1A1HTR3BHTR3A
SCHEMBL18227144 0.64 TERT (0.49) TERTAPPMEN1KMT2A
SCHEMBL1083892 0.64 HIF1A (0.57) HRH4KDM4ETP53CYP3A4CYP2D6

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 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20160332971-A1 ARYLQUINOLINE, ARYLQUINOLONE AND ARYLTHIOQUINOLONE DERIVATIVES AND USE THEREOF TO TREAT CANCER UNIVERSITY OF KENTUCKY RESEARCH FOUNDATION 2016-11-17 — — 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-20160332971-A1 ARYLQUINOLINE, ARYLQUINOLONE AND ARYLTHIOQUINOLONE DERIVATIVES AND USE THEREOF TO TREAT CANCER CASP4, PARP14, API5 HRH4 1125/4885KDM4E 1226/4885TP53 70/4885

“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