SCHEMBL17815581

SCHEMBL17815581

Nc1c(Cl)ncnc1Nc1ccc(F)cc1

nearest known ligand 0.49

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
EGFR P00533 5/20 0.49
SMN1; SMN2 Q16637 1/20 0.49
MEN1 O00255 1/20 0.48
KMT2A Q03164 1/20 0.48
MKNK1 Q9BUB5 1/20 0.48
TTBK1 Q5TCY1 3/20 0.46
TTBK2 Q6IQ55 3/20 0.46
TDP1 Q9NUW8 1/20 0.44
LMNA P02545 1/20 0.43
MAPT P10636 1/20 0.43
CA1 P00915 1/20 0.42
CA2 P00918 1/20 0.42
CA7 P43166 1/20 0.42
CA13 Q8N1Q1 1/20 0.42
AURKA O14965 1/20 0.41
RAB9A P51151 1/20 0.41
GALR3 O60755 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
SCHEMBL1896427 0.86 TTBK1 (0.55) EGFRMEN1KMT2AMKNK1TTBK1
SCHEMBL17815587 0.83 GALR3 (0.58) EGFRSMN1; SMN2KMT2ATTBK1TTBK2
SCHEMBL1898192 0.83 EGFR (0.53) EGFRSMN1; SMN2MEN1KMT2ATTBK1
SCHEMBL769494 0.83 EGFR (0.54) EGFRTTBK1
Hydrochloric Acid SCHEMBL4203714 0.81 EGFR (0.53) EGFRTTBK1
SCHEMBL6237575 0.81 EGFR (0.64) EGFRSMN1; SMN2MAPTAURKA
SCHEMBL9726894 0.80 ABCG2 (0.54) EGFRTTBK1TTBK2CA1CA2
SCHEMBL17802606 0.78 MKNK1 (0.54) EGFRKMT2AMKNK1TTBK1TTBK2
SCHEMBL17802598 0.78 CA1 (0.67) EGFRMAPTCA1CA2CA7
SCHEMBL17802557 0.77 CA1 (0.52) EGFRKMT2AMAPTCA1CA2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-10414768-B2 Compounds for treating cystic fibrosis CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2019-09-17 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS UNIVERSITE PIERRE ET MARIE CURIE - PARIS 6 (UPMC) (FR) 2017-12-21 US disclosed
WO-2016087665-A2 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CENTRE NATIONAL DE LA RECHERCHE SCIENTIFIQUE (CNRS) (FR) 2016-06-09 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 (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-10414768-B2 Compounds for treating cystic fibrosis CFTR, ABCB11, SLC26A4 EGFR 1817/4885SMN1; SMN2 3889/4885MEN1 2444/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 EGFR 1817/4885SMN1; SMN2 3889/4885MEN1 2444/4885

“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.