SCHEMBL18906131

SCHEMBL18906131

Nc1ccc2nn(CCO)cc2c1

nearest known ligand 0.42

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 7/20 0.42
HTT P42858 3/20 0.42
ALDH1A1 P00352 3/20 0.41
MAPT P10636 3/20 0.41
NSD2 O96028 1/20 0.41
HDAC6 Q9UBN7 1/20 0.40
IRAK4 Q9NWZ3 2/20 0.38
PLAU P00749 1/20 0.38
RAD52 P43351 1/20 0.37
LMNA P02545 2/20 0.36
POLB P06746 1/20 0.36
CASP6 P55212 1/20 0.36
TP53 P04637 1/20 0.36
HSP90AA1 P07900 1/20 0.36
HSP90AB1 P08238 1/20 0.36
TSHR P16473 1/20 0.36
CASP1 P29466 1/20 0.36
ATM Q13315 1/20 0.36
SMN1; SMN2 Q16637 1/20 0.36
HSD17B10 Q99714 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
SCHEMBL15244016 0.87 KDM4E (0.57) KDM4EHTTALDH1A1MAPTNSD2
SCHEMBL18168045 0.81 HTT (0.39) KDM4EHTTALDH1A1MAPTNSD2
SCHEMBL31351030 0.80 IRAK4 (0.45) KDM4EALDH1A1MAPTNSD2IRAK4
SCHEMBL18023207 0.80 HDAC6 (0.42) KDM4EMAPTHDAC6IRAK4POLB
SCHEMBL16569404 0.80 HDAC8 (0.40) HTTALDH1A1MAPTHDAC6IRAK4
SCHEMBL29141447 0.80 IRAK4 (0.40) MAPTHDAC6IRAK4HDAC2HDAC3
SCHEMBL17981699 0.80 KMT2A (0.44) KDM4EALDH1A1MAPTHDAC6IRAK4
SCHEMBL26442592 0.80 HDAC6 (0.40) KDM4EALDH1A1MAPTHDAC6IRAK4
SCHEMBL5860842 0.80 KDM4E (0.41) KDM4EHTTALDH1A1MAPTNSD2
SCHEMBL188317 0.79 KDM4E (0.43) KDM4EHTTALDH1A1MAPTNSD2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101948433-B Method for separating and purifying substituted indazole isomer UNIV ZHENGZHOU 2012-05-09 CN claimed
CN-101948433-A Method for separating and purifying substituted indazole isomers UNIV ZHENGZHOU 2011-01-19 CN claimed
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2024-02-08 US disclosed
CN-113292539-B Substituted oxopyridine derivatives 拜耳制药股份公司 2023-12-22 CN disclosed
CN-116322683-A Compounds as C5AR inhibitors 科越医药(苏州)有限公司 2023-06-23 CN disclosed
EP-4192816-A1 COMPOUNDS AS C5AR INHIBITORS Kira Pharmaceuticals (Suzhou) Ltd. (CN) 2023-06-14 EP disclosed
WO-2022028586-A1 COMPOUNDS AS C5AR INHIBITORS KIRA PHARMACEUTICALS (SUZHOU) LTD. (CN) 2022-02-10 WO disclosed
CN-113292539-A Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-24 CN disclosed
CN-108026072-B Substituted oxopyridine derivatives 拜耳制药股份公司 2021-08-17 CN disclosed
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 US disclosed
US-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND ASTELLAS PHARMA INC. (JP) 2017-06-01 US disclosed
CN-101948433-B Method for separating and purifying substituted indazole isomer UNIV ZHENGZHOU 2012-05-09 CN disclosed
CN-101948433-A Method for separating and purifying substituted indazole isomers UNIV ZHENGZHOU 2011-01-19 CN 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-20170152232-A1 NITROGEN-CONTAINING AROMATIC HETEROCYCLIC COMPOUND FGFR3, FGFR1, FGFR2 KDM4E 600/4885HTT 181/4885ALDH1A1 1432/4885
US-20240043439-A1 COMPOUNDS AS C5AR INHIBITORS C5AR1, C5AR2, C3AR1 KDM4E 4189/4885HTT 4089/4885ALDH1A1 3678/4885

“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.