SCHEMBL16826087

SCHEMBL16826087

Nc1n[nH]c(N2CCC(CNC(=O)c3cccc(F)c3)CC2)n1

nearest known ligand 0.48

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ CHIT1 Q13231 1/20 0.48
▸ HTR7 P34969 1/20 0.47
▸ GSK3B P49841 1/20 0.46
▸ ADORA2A P29274 1/20 0.45
▸ CYP1A2 P05177 1/20 0.45
▸ GAA P10253 1/20 0.45
▸ CYP2C9 P11712 1/20 0.45
▸ HPGD P15428 1/20 0.45
▸ CYP2C19 P33261 1/20 0.45
▸ AR P10275 1/20 0.45
▸ PDGFRB P09619 1/20 0.44
▸ KDR P35968 1/20 0.44
▸ HDAC6 Q9UBN7 3/20 0.43
▸ MAP4K4 O95819 2/20 0.43
▸ CKS1B P61024 1/20 0.43
▸ SKP1 P63208 1/20 0.43
▸ SKP2 Q13309 1/20 0.43
▸ HDAC3 O15379 2/20 0.42
▸ HDAC4 P56524 2/20 0.42
▸ HDAC1 Q13547 2/20 0.42

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
SCHEMBL16825811 0.88 MEN1 (0.56) CHIT1GSK3BHPGDPDGFRBKDR
SCHEMBL16825819 0.87 CHIT1 (0.52) CHIT1ADORA2AAR
SCHEMBL16825763 0.84 RPS6KB1 (0.50) CHIT1GSK3BADORA2AHDAC1
SCHEMBL18135563 0.83 CHIT1 (0.52) CHIT1CYP2C9PARP1OPRM1
SCHEMBL16825835 0.82 CACNA1I (0.54) CHIT1KCNH2CACNA1I
SCHEMBL16825729 0.82 CHIT1 (0.71) CHIT1GSK3BHPGDHDAC6CKS1B
SCHEMBL16826396 0.82 CHIT1 (0.57) CHIT1GSK3BHPGDCKS1BSKP1
SCHEMBL16825996 0.81 HTR4 (0.52) CHIT1
SCHEMBL16825950 0.78 CHIT1 (0.44) CHIT1HTR7GSK3BADORA2A
SCHEMBL16825728 0.78 HTR7 (0.48) CHIT1HTR7GSK3BCKS1BSKP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP claimed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US claimed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO claimed
EP-3082805-B1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INST FOR DRUG DISCOVERY LLC (US) 2020-02-05 — — EP disclosed
EP-3082805-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME The Institute For Drug Delivery (US) 2016-10-26 — — EP disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
US-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME INSTITUTE FOR DRUG DISCOVERY, LLC 2016-10-13 — — US disclosed
WO-2015095701-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME THE INSTITUTE FOR DRUG DELIVERY (US) 2015-06-25 — — WO 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-20160297823-A1 SUBSTITUTED AMINO TRIAZOLES, AND METHODS USING SAME CMA1, CHIA, AADAC CHIT1 11/4885HTR7 894/4885GSK3B 2099/4885

“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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