SCHEMBL21799114

SCHEMBL21799114

CSc1cnc(Nc2ccc(C(=O)Nc3cc(CN4CCCCC4)ccc3C)cc2F)nc1-c1ccc(F)cc1

nearest known ligand 0.51

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
MCHR1 Q99705 12/20 0.51
HTR2C P28335 9/20 0.51
HDAC1 Q13547 3/20 0.45
ACKR3 P25106 1/20 0.45
CSNK1D P48730 1/20 0.42
CSNK1E P49674 1/20 0.42
ABL1 P00519 2/20 0.42
BCR P11274 2/20 0.42
LYN P07948 1/20 0.41

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
SCHEMBL30530295 1.00 MCHR1 (0.51) MCHR1HTR2CHDAC1ACKR3CSNK1D
SCHEMBL21799107 0.93 ABL1 (0.48) MCHR1HTR2CHDAC1ACKR3ABL1
SCHEMBL30530285 0.93 ABL1 (0.48) MCHR1HTR2CHDAC1ACKR3ABL1
SCHEMBL30114860 0.93 RAB9A (0.47) MCHR1HTR2CHDAC1ACKR3
SCHEMBL21799082 0.93 RAB9A (0.47) MCHR1HTR2CHDAC1ACKR3
SCHEMBL20188725 0.91 MCHR1 (0.54) MCHR1HTR2CHDAC1ACKR3ABL1
SCHEMBL30114741 0.91 MCHR1 (0.54) MCHR1HTR2CHDAC1ACKR3ABL1
SCHEMBL30530278 0.87 RAB9A (0.49) MCHR1HTR2CHDAC1
SCHEMBL20190805 0.87 RAB9A (0.49) MCHR1HTR2CHDAC1
SCHEMBL20190739 0.85 ABL1 (0.47) ABL1BCRLYN

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US claimed
US-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-03-12 US claimed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-10-06 US disclosed
US-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF DEVELOPMENT CENTER FOR BIOTECHNOLOGY (TW) 2020-03-12 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 (2 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-20200079753-A1 HETROARYLAMINE COMPOUNDS FOR MODULATING THE HEDGEHOG PATHWAY AND PREPARING METHOD AND USES THEREOF SHH, GLI1, SMO MCHR1 318/4885HTR2C 206/4885HDAC1 1690/4885
US-10793542-B2 Hetroarylamine compounds for modulating the hedgehog pathway and preparing method and uses thereof SHH, GLI1, NR1H4 MCHR1 153/4885HTR2C 322/4885HDAC1 1774/4885

“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.