SCHEMBL17156567

SCHEMBL17156567

CN1CCN(CC(=O)n2ccc3cc(N)ccc32)CC1

nearest known ligand 0.46

Predicted protein targets (top 18)

geneUniProtsupporting neighboursconfidence
▸ CYP3A4 P08684 1/20 0.46
▸ CYP2D6 P10635 1/20 0.46
▸ PRKCI P41743 1/20 0.44
▸ HRH4 Q9H3N8 3/20 0.41
▸ ROCK2 O75116 1/20 0.41
▸ ROCK1 Q13464 1/20 0.41
▸ LMNA P02545 1/20 0.39
▸ DRD3 P35462 1/20 0.39
▸ KCNH2 Q12809 1/20 0.39
▸ NTSR1 P30989 1/20 0.39
▸ BRPF1 P55201 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ NR1H2 P55055 1/20 0.38
▸ PARP1 P09874 1/20 0.38
▸ HTR7 P34969 1/20 0.38
▸ TSHR P16473 1/20 0.37
▸ OXER1 Q8TDS5 1/20 0.37
▸ HTR6 P50406 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
SCHEMBL17156521 0.81 HTR7 (0.51) CYP3A4CYP2D6HRH4HTR7
SCHEMBL20611944 0.77 HTR7 (0.54) CYP3A4CYP2D6HRH4ROCK2ROCK1
SCHEMBL31461321 0.74 HTR7 (0.64) PRKCILMNANTSR1HTR7
SCHEMBL853076 0.73 NOTUM (0.58) PRKCIDRD3KCNH2NTSR1BRPF1
SCHEMBL13598508 0.71 PRKCI (0.52) PRKCINTSR1BRPF1TSHROXER1
SCHEMBL4959132 0.71 PRKCI (0.52) CYP3A4PRKCINTSR1BRPF1POLB
SCHEMBL15784118 0.70 DRD4 (0.55) POLB
SCHEMBL20611946 0.70 ROCK1 (0.42) CYP3A4CYP2D6ROCK2ROCK1LMNA
SCHEMBL7483288 0.70 PRKCI (0.47) CYP3A4PRKCILMNANTSR1BRPF1
SCHEMBL16897912 0.69 ALDH1A1 (0.47) CYP3A4CYP2D6DRD3KCNH2POLB

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2930167-B1 AN INDOLINONE DERIVATIVE AS TYROSINE KINASE INHIBITOR KBP BIOSCIENCES CO LTD (CN) 2018-11-21 — — EP disclosed
US-9642851-B2 Indolinone derivative as tyrosine kinase inhibitor KBP BIOSCIENCES CO., LTD. (CN) 2017-05-09 — — US disclosed
US-20150306095-A1 An Indolinone Derivative As Tyrosine Kinase Inhibitor KBP BIOSCIENCES CO., LTD. (CN) 2015-10-29 — — US disclosed
EP-2930167-A1 INDOLE FULL KETONE DERIVATIVE USED AS TYROSINE-KINASE INHIBITOR KBP Biosciences Co., Ltd. (CN) 2015-10-14 — — EP 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-20150306095-A1 An Indolinone Derivative As Tyrosine Kinase Inhibitor FRK, LRRK2, TNNI3K CYP3A4 2932/4885CYP2D6 2207/4885PRKCI 1154/4885

“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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