SCHEMBL16582016

SCHEMBL16582016

CCOc1ccn2ccnc2c1

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.41
NPSR1 Q6W5P4 1/20 0.41
KDM4E B2RXH2 3/20 0.41
QPCT Q16769 2/20 0.40
NQO1 P15559 1/20 0.40
TSHR P16473 1/20 0.40
HSD17B10 Q99714 1/20 0.40
LMNA P02545 1/20 0.39
TP53 P04637 1/20 0.38
CYP3A4 P08684 1/20 0.38
L3MBTL1 Q9Y468 1/20 0.38
MAPT P10636 1/20 0.37
NPC1 O15118 1/20 0.37
PKM P14618 1/20 0.37
MAPK1 P28482 1/20 0.37
RAB9A P51151 1/20 0.37
SMN1; SMN2 Q16637 1/20 0.37
CYP2D6 P10635 1/20 0.36
CYP2C9 P11712 1/20 0.36
F12 P00748 1/20 0.36

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
SCHEMBL2657868 0.81 CCR1 (0.44) KDM4EQPCTMAPTNPC1PKM
SCHEMBL21593355 0.79 CYP1A2 (0.46) ALDH1A1KDM4EMAPTCYP2D6CYP2C9
SCHEMBL34464675 0.79 F12 (0.35) QPCTF12KEAP1
SCHEMBL24975692 0.78 F12 (0.34) QPCTF12KEAP1
SCHEMBL24231563 0.78 ALDH1A1 (0.40) ALDH1A1KDM4EQPCTMAPTSMN1; SMN2
SCHEMBL12322245 0.78 SMN1; SMN2 (0.40) ALDH1A1QPCTCYP3A4L3MBTL1MAPT
SCHEMBL34464681 0.78 QPCT (0.38) ALDH1A1NPSR1QPCTTSHRCYP3A4
SCHEMBL34464671 0.78 CYP1A2 (0.47) ALDH1A1KDM4EQPCTCYP3A4SMN1; SMN2
SCHEMBL29868380 0.78 MEN1 (0.52) KDM4EQPCTLMNAMAPTNPC1
SCHEMBL24231609 0.77 HRH3 (0.39) ALDH1A1QPCTLMNATP53L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20230303563-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF CHILDREN'S HOSPITAL MEDICAL CENTER 2023-09-28 US disclosed
US-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE BIOGEN MA INC. 2023-03-23 US disclosed
WO-2020135878-A1 IMIDAZOPYRIDINE DERIVATIVE AS FGFR AND VEGFR DUAL INHIBITOR 南京明德新药研发有限公司 2020-07-02 WO disclosed
EP-2114941-B1 BICYCLIC HETEROCYCLIC COMPOUNDS AS FGFR INHIBITORS ASTEX THERAPEUTICS LTD (GB) 2015-03-25 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-20230087118-A1 IMIDAZO[1,2-a]PYRIDINYL DERIVATIVES AND THEIR USE IN THE TREATMENT OF DISEASE IRAK4, IRAK2, IRAK1 ALDH1A1 1138/4885NPSR1 4052/4885KDM4E 114/4885
US-20230303563-A1 MULTI-CYCLIC IRAK AND FLT3 INHIBITING COMPOUNDS AND USES THEREOF FLT3, IRAK2, IRAK3 ALDH1A1 2104/4885NPSR1 3990/4885KDM4E 360/4885

“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.