SCHEMBL22355134

SCHEMBL22355134

O=C(Nc1cccc(-c2ccccc2Cl)c1F)C1CN1

nearest known ligand 0.40

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
▸ CFD P00746 5/20 0.40
▸ MEN1 O00255 3/20 0.39
▸ KMT2A Q03164 3/20 0.39
▸ TSHR P16473 2/20 0.39
▸ POLB P06746 1/20 0.39
▸ CYP2C19 P33261 1/20 0.39
▸ CHRM1 P11229 2/20 0.39
▸ SMN1; SMN2 Q16637 1/20 0.39
▸ CHRM2 P08172 1/20 0.38
▸ CHRM3 P20309 1/20 0.38
▸ ALDH1A1 P00352 1/20 0.38
▸ PARP14 Q460N5 1/20 0.38
▸ ALPL P05186 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
SCHEMBL20329698 1.00 CFD (0.40) CFDMEN1KMT2ATSHRPOLB
SCHEMBL18555502 0.91 CFD (0.42) CFDMEN1KMT2ATSHRPOLB
SCHEMBL18576565 0.91 CFD (0.42) CFDMEN1KMT2ATSHRPOLB
SCHEMBL17053073 0.91 CFD (0.42) CFDMEN1KMT2ATSHRPOLB
SCHEMBL17023724 0.91 CFD (0.42) CFDMEN1KMT2ATSHRPOLB
SCHEMBL29545547 0.91 CFD (0.42) CFDMEN1KMT2ATSHRPOLB
SCHEMBL18572757 0.90 CHRM1 (0.42) CFDMEN1KMT2ACYP2C19CHRM1
SCHEMBL22355131 0.90 CHRM1 (0.42) CFDMEN1KMT2ACYP2C19CHRM1
SCHEMBL20329696 0.90 CFD (0.41) CFDMEN1KMT2ATSHRPOLB
Hydrochloric Acid SCHEMBL17046887 0.90 CFD (0.41) CFDMEN1KMT2ATSHRPOLB

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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS ACHILLION PHARMACEUTICALS, INC. (US) 2020-08-20 — — 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-20200262818-A1 ARYL, HETEROARYL, AND HETEROCYCLIC COMPOUNDS FOR TREATMENT OF IMMUNE AND INFLAMMATORY DISORDERS CFD, TFPI, CFH CFD 1/4885MEN1 2099/4885KMT2A 4086/4885

“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