SCHEMBL16009388

SCHEMBL16009388

Nc1nc(Cl)c2c(n1)[nH]c1ccccc12

nearest known ligand 0.60

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
EGFR P00533 7/20 0.60
MAPT P10636 2/20 0.53
ABCB1 P08183 3/20 0.49
TUBB3 Q13509 3/20 0.49
CA5A P35218 1/20 0.47
TYMS P04818 3/20 0.47
PDGFRB P09619 2/20 0.47
KDM4E B2RXH2 1/20 0.46
ALDH1A1 P00352 1/20 0.46
LMNA P02545 1/20 0.46
CYP1A2 P05177 1/20 0.46
POLB P06746 1/20 0.46
CYP3A4 P08684 1/20 0.46
CYP2C9 P11712 1/20 0.46
HPGD P15428 1/20 0.46
TSHR P16473 1/20 0.46
CYP2C19 P33261 1/20 0.46
HSD17B10 Q99714 1/20 0.46
KDR P35968 2/20 0.45
ERBB2 P04626 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
Hydrochloric Acid SCHEMBL7218035 0.98 EGFR (0.58) EGFRMAPTABCB1TUBB3CA5A
SCHEMBL19537778 0.83 HSD17B10 (0.49) EGFRMAPTCA5AKDM4EALDH1A1
SCHEMBL1923985 0.83 EGFR (0.63) EGFRMAPTABCB1TUBB3CA5A
SCHEMBL31053694 0.80 HSD17B10 (0.46) EGFRMAPTCA5AKDM4EALDH1A1
SCHEMBL18415625 0.78 KDM4E (0.44) EGFRMAPTCA5AKDM4EALDH1A1
SCHEMBL2389718 0.77 EGFR (0.57) EGFRMAPTCA5AKDM4EALDH1A1
SCHEMBL30672219 0.77 EGFR (0.57) EGFRMAPTCA5AKDM4EALDH1A1
Hydrochloric Acid SCHEMBL7218016 0.76 EGFR (0.55) EGFRMAPTCA5AKDM4EALDH1A1
SCHEMBL18415624 0.75 EGFR (0.55) EGFRMAPTPDGFRBKDM4EALDH1A1
Hydrochloric Acid SCHEMBL6671780 0.74 CHUK (0.45) EGFRKDRMAP2K7

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2019-08-27 US disclosed
EP-2970312-B1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME UNIV MICHIGAN REGENTS (US) 2017-11-15 EP disclosed
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-10-05 US disclosed
US-9675697-B2 BET bromodomain inhibitors and therapeutic methods using the same THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2017-06-13 US disclosed
EP-2970312-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME The Regents of The University of Michigan (US) 2016-01-20 EP disclosed
WO-2014164596-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-10-09 WO disclosed
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME THE REGENTS OF THE UNIVERSITY OF MICHIGAN (US) 2014-09-11 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 (3 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-10391175-B2 BET bromodomain inhibitors and therapeutic methods using the same BRD4, BRDT, BRD3 EGFR 2576/4885MAPT 2244/4885ABCB1 2627/4885
US-20170281773-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 EGFR 2576/4885MAPT 2244/4885ABCB1 2627/4885
US-20140256706-A1 BET BROMODOMAIN INHIBITORS AND THERAPEUTIC METHODS USING THE SAME BRD4, BRDT, BRD3 EGFR 2576/4885MAPT 2244/4885ABCB1 2627/4885

“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.