SCHEMBL20124811

SCHEMBL20124811

NCc1c(C(F)(F)F)ccc(Cl)c1Cl

nearest known ligand 0.40

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
IDO1 P14902 2/20 0.40
PNMT P11086 2/20 0.38
P2RX7 Q99572 1/20 0.36
HTR3E A5X5Y0 1/20 0.36
HTR3B O95264 1/20 0.36
HTR3A P46098 1/20 0.36
HTR3D Q70Z44 1/20 0.36
HTR3C Q8WXA8 1/20 0.36
NOTUM Q6P988 3/20 0.35
KDR P35968 1/20 0.33
CLCN2 P51788 1/20 0.32
NPFFR2 Q9Y5X5 3/20 0.32
NPFFR1 Q9GZQ6 2/20 0.32
DPP4 P27487 1/20 0.31
HTR2C P28335 1/20 0.31
HTR2B P41595 1/20 0.31
TAAR1 Q96RJ0 1/20 0.31
PYCR1 P32322 1/20 0.30
LMNA P02545 1/20 0.30

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
SCHEMBL30661710 1.00 IDO1 (0.40) IDO1PNMTP2RX7HTR3EHTR3B
SCHEMBL20946381 0.84 IDO1 (0.40) IDO1PNMTP2RX7HTR3EHTR3B
SCHEMBL21446974 0.82 IDO1 (0.39) IDO1HTR3EHTR3BHTR3AHTR3D
SCHEMBL7932564 0.82 P2RX7 (0.37) IDO1P2RX7HTR3EHTR3BHTR3A
SCHEMBL18086469 0.80 P2RX7 (0.36) IDO1P2RX7HTR3EHTR3BHTR3A
SCHEMBL14911360 0.80 P2RX7 (0.36) IDO1P2RX7HTR3EHTR3BHTR3A
SCHEMBL15173346 0.76 TAAR1 (0.47) IDO1PNMTP2RX7DPP4TAAR1
SCHEMBL1765193 0.75 PNMT (0.48) IDO1PNMTDPP4HTR2CHTR2B
SCHEMBL269809 0.74 P2RX7 (0.36) IDO1P2RX7NOTUMKDRCLCN2
SCHEMBL18302050 0.74 AKR1B1 (0.47) P2RX7KDRCLCN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-11236093-B2 Adenine derivatives as protein kinase inhibitors B.C.I. PHARMA (BE) 2022-02-01 US disclosed
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS B.C.I. PHARMA (BE) 2019-05-02 US disclosed
EP-3008045-B1 ANTIBACTERIAL THIAZOLECARBOXYLIC ACIDS ANTABIO SAS (FR) 2018-05-09 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 (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-11236093-B2 Adenine derivatives as protein kinase inhibitors ADK, TNNI3K, TNK2 IDO1 1493/4885PNMT 1739/4885P2RX7 199/4885
US-20190127379-A1 ADENINE DERIVATIVES AS PROTEIN KINASE INHIBITORS ADK, TNNI3K, TNK2 IDO1 1493/4885PNMT 1739/4885P2RX7 199/4885

“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.