SCHEMBL20869909

SCHEMBL20869909

Clc1cc(-c2cc3ccccc3[nH]2)nc(Cl)n1

nearest known ligand 0.51

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
RAB9A P51151 4/20 0.51
KDM4E B2RXH2 4/20 0.51
MAPT P10636 4/20 0.51
NPC1 O15118 3/20 0.51
MEN1 O00255 3/20 0.51
ALDH1A1 P00352 3/20 0.51
HPGD P15428 3/20 0.51
KMT2A Q03164 3/20 0.51
CASP3 P42574 2/20 0.51
SENP8 Q96LD8 2/20 0.51
SENP7 Q9BQF6 2/20 0.51
SENP6 Q9GZR1 2/20 0.51
CYP1A2 P05177 1/20 0.51
CYP2C9 P11712 1/20 0.51
CYP2C19 P33261 1/20 0.51
AURKA O14965 2/20 0.50
AURKB Q96GD4 1/20 0.50
GSK3B P49841 1/20 0.49
KDR P35968 2/20 0.47
CHEK1 O14757 1/20 0.47

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
SCHEMBL30581222 0.86 RAB9A (0.53) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL14764843 0.79 GSK3B (0.51) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL7640854 0.79 GSK3B (0.68) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL2933463 0.77 RAB9A (0.51) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL23641151 0.74 GSK3B (0.62) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL374022 0.73 RAB9A (0.74) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL29631691 0.73 RAB9A (0.74) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL5051826 0.72 KDR (0.68) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL28051616 0.72 RAB9A (0.58) RAB9AKDM4EMAPTNPC1MEN1
SCHEMBL20655717 0.72 SRD5A2 (0.51) MAPTITKTDP1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10428081-B2 EGFR inhibitor, preparation method and use thereof SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-10-01 US disclosed
US-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF SHANGHAI HANSOH BIOMEDICAL CO., LTD. (CN) 2019-04-04 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 (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-20190100528-A1 EGFR INHIBITOR, PREPARATION METHOD AND USE THEREOF EGFR, ERBB2, ERBB4 RAB9A 453/4885KDM4E 1823/4885MAPT 4438/4885
US-10428081-B2 EGFR inhibitor, preparation method and use thereof EGFR, ERBB2, ERBB4 RAB9A 453/4885KDM4E 1823/4885MAPT 4438/4885

“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.