SCHEMBL18436103

SCHEMBL18436103

C[C@@H]1CN(c2ccccc2)C[C@H](C)O1

nearest known ligand 0.58

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
TSHR P16473 2/20 0.58
MAPT P10636 2/20 0.54
ALDH1A1 P00352 8/20 0.53
HSD17B10 Q99714 2/20 0.53
KMT2A Q03164 4/20 0.50
MEN1 O00255 3/20 0.50
KDM4E B2RXH2 4/20 0.49
GAA P10253 1/20 0.49
BPTF Q12830 1/20 0.48
MAPK1 P28482 1/20 0.47
HPGD P15428 2/20 0.46
LMNA P02545 2/20 0.46
ATM Q13315 1/20 0.46
L3MBTL1 Q9Y468 1/20 0.46
ADORA2A P29274 1/20 0.46
ADORA1 P30542 1/20 0.46
NPSR1 Q6W5P4 1/20 0.46
TDP1 Q9NUW8 1/20 0.46
RAB9A P51151 1/20 0.45
HTT P42858 1/20 0.43

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
SCHEMBL16215117 1.00 TSHR (0.58) TSHRMAPTALDH1A1HSD17B10KMT2A
SCHEMBL10697816 1.00 TSHR (0.58) TSHRMAPTALDH1A1HSD17B10KMT2A
SCHEMBL30885138 0.84 MAPT (0.60) TSHRMAPTALDH1A1HSD17B10KMT2A
SCHEMBL7790503 0.81 MAPT (0.57) TSHRMAPTALDH1A1KMT2AKDM4E
SCHEMBL18436831 0.81 MAPT (0.57) TSHRMAPTALDH1A1KMT2AKDM4E
SCHEMBL23731989 0.81 MAPT (0.57) TSHRMAPTALDH1A1KMT2AKDM4E
SCHEMBL24352865 0.81 MAPT (0.57) TSHRMAPTALDH1A1KMT2AKDM4E
SCHEMBL327800 0.81 MAPT (0.57) TSHRMAPTALDH1A1KMT2AKDM4E
SCHEMBL19139371 0.79 BPTF (0.54) MAPTALDH1A1HSD17B10KMT2AMEN1
SCHEMBL26496330 0.79 BPTF (0.54) MAPTALDH1A1HSD17B10KMT2AMEN1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
WO-2022226667-A1 SUBSTITUTED AMINO PYRIDINE COMPOUNDS AS INHIBITORS OF THE HAEMATOPOIETIC PROGENITOR KINASE 1 (HPK1) ONTARIO INSTITUTE FOR CANCER RESEARCH (OICR) (CA) 2022-11-03 WO disclosed
CN-113072460-B Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2022-06-24 CN disclosed
US-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones Impact Therapeutics (Shanghai), Inc (CN) 2022-05-31 US disclosed
CN-113072460-A Morpholine derivative oxidation ring-opening method and product thereof 西南大学 2021-07-06 CN disclosed
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES Impact Therapeutics (Shanghai), Inc (CN) 2020-12-10 US disclosed
EP-3124482-B1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO LTD (CN) 2019-09-11 EP disclosed
EP-3124482-A1 QUINOLINE DERIVATIVES AS SMO INHIBITORS GUANGDONG ZHONGSHENG PHARMACEUTICAL CO., LTD (CN) 2017-02-01 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-11345711-B2 8,9-dihydroimidazo[1,2-a]pyrimido[5,4-e]pyrimidin-5(6H)-ones WEE1, WEE2, CCNE1 TSHR 3402/4885MAPT 4062/4885ALDH1A1 1361/4885
US-20200385394-A1 8,9-DIHYDROIMIDAZO[1,2-a]PYRIMIDO[5,4-e]PYRIMIDIN-5(6H)-ONES WEE1, WEE2, CCNE1 TSHR 3402/4885MAPT 4062/4885ALDH1A1 1361/4885

“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.