SCHEMBL19636345

SCHEMBL19636345

CN1CCCN(c2ccc3cc(C#N)c4nc5cc(F)c(F)cc5n4c3n2)CC1

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 8/20 0.40
▸ TP53 P04637 1/20 0.40
▸ MAP4K1 Q92918 2/20 0.38
▸ ALDH1A1 P00352 5/20 0.38
▸ TSHR P16473 3/20 0.38
▸ HPGD P15428 2/20 0.38
▸ LMNA P02545 2/20 0.38
▸ MAPK1 P28482 2/20 0.38
▸ POLB P06746 1/20 0.38
▸ MAPT P10636 1/20 0.38
▸ XBP1 P17861 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ ATM Q13315 1/20 0.38
▸ SMN1; SMN2 Q16637 1/20 0.38
▸ CHKA P35790 1/20 0.37
▸ HTR3A P46098 2/20 0.36
▸ HRH4 Q9H3N8 2/20 0.36
▸ HTR3E A5X5Y0 1/20 0.36
▸ HTR3B O95264 1/20 0.36
▸ CYP1A2 P05177 1/20 0.36

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
SCHEMBL17254978 0.86 TSHR (0.46) KDM4ETP53ALDH1A1TSHRHPGD
SCHEMBL19636344 0.84 IRAK4 (0.39) KDM4EALDH1A1LMNAMAPK1POLB
SCHEMBL18042578 0.81 KDM4E (0.49) KDM4ETP53ALDH1A1TSHRHPGD
SCHEMBL18057411 0.80 ROCK2 (0.46) KDM4ETP53ALDH1A1TSHRHPGD
SCHEMBL19636346 0.79 PARP1 (0.38) KDM4ETP53ALDH1A1LMNAMAPT
SCHEMBL19636210 0.79 MAPT (0.38) KDM4EALDH1A1TSHRHPGDLMNA
SCHEMBL21208470 0.78 CYP11B1 (0.37) KDM4ETP53ALDH1A1RAB9AATM
SCHEMBL21208485 0.77 HTR3A (0.41) KDM4EALDH1A1HTR3AHRH4HTR3E
SCHEMBL21208484 0.77 HRH4 (0.36) KDM4EHTR3AHRH4HTR3EHTR3B
SCHEMBL21208471 0.77 HRH4 (0.45) KDM4EMAP4K1HTR3AHRH4CYP11B1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9951066-B2 Compositions, uses and methods for making them Pimera, Inc. (US) 2018-04-24 — — US disclosed
US-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM UNITED STATES GOVERNMENT 2017-11-23 — — 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-20170334905-A1 NOVEL COMPOSITIONS, USES AND METHODS FOR MAKING THEM BAX, CASP3, BCL2 KDM4E 2839/4885TP53 33/4885MAP4K1 1841/4885

“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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