SCHEMBL17815587

SCHEMBL17815587

Cc1ccc(Nc2ncnc(Cl)c2N)cc1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
GALR3 O60755 1/20 0.58
EGFR P00533 2/20 0.51
RAB9A P51151 4/20 0.49
MAPK1 P28482 2/20 0.49
NPC1 O15118 2/20 0.49
POLB P06746 1/20 0.49
ADORA3 P0DMS8 1/20 0.48
ADORA2A P29274 1/20 0.48
MAPT P10636 2/20 0.47
LMNA P02545 1/20 0.47
SMN1; SMN2 Q16637 2/20 0.47
RAF1 P04049 1/20 0.47
HTT P42858 1/20 0.47
TTBK1 Q5TCY1 2/20 0.46
TTBK2 Q6IQ55 2/20 0.46
HAVCR2 Q8TDQ0 1/20 0.46
TRPV1 Q8NER1 1/20 0.44
F9 P00740 3/20 0.44
F11 P03951 2/20 0.44
F7 P08709 2/20 0.44

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) GALR3EGFRRAB9ANPC1ADORA3
SCHEMBL17815581 0.83 EGFR (0.49) GALR3EGFRRAB9AMAPTLMNA
SCHEMBL1898192 0.83 EGFR (0.53) EGFRRAB9AMAPK1NPC1POLB
SCHEMBL16363381 0.83 EGFR (0.54) GALR3EGFRRAB9AMAPK1NPC1
SCHEMBL17815590 0.80 BRAF (0.53) EGFRRAB9ANPC1POLBMAPT
SCHEMBL769494 0.80 EGFR (0.54) EGFRTTBK1TRPV1
SCHEMBL9726894 0.80 ABCG2 (0.54) GALR3EGFRRAB9ATTBK1TTBK2
Hydrochloric Acid SCHEMBL4203714 0.78 EGFR (0.53) EGFRTTBK1TRPV1
SCHEMBL17802606 0.78 MKNK1 (0.54) EGFRMAPTTTBK1TTBK2F9
SCHEMBL17802598 0.78 CA1 (0.67) EGFRMAPTCA1CA2CA7

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 GALR3 2347/4885EGFR 1817/4885RAB9A 2141/4885
US-20170362239-A1 COMPOUNDS FOR TREATING CYSTIC FIBROSIS CFTR, ABCB11, SLC26A4 GALR3 2347/4885EGFR 1817/4885RAB9A 2141/4885

“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.