SCHEMBL18534720

SCHEMBL18534720

CNc1ccccc1C(=N)I

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 3/20 0.52
KDM4E B2RXH2 2/20 0.52
ATM Q13315 1/20 0.52
MAPT P10636 3/20 0.40
ALDH1A1 P00352 2/20 0.40
RECQL P46063 2/20 0.40
TDP1 Q9NUW8 2/20 0.40
L3MBTL1 Q9Y468 2/20 0.40
USP2 O75604 1/20 0.40
HPGD P15428 1/20 0.40
NPSR1 Q6W5P4 1/20 0.40
HSD17B10 Q99714 1/20 0.40
TSHR P16473 1/20 0.37
IDO1 P14902 1/20 0.36
ALOX15 P16050 1/20 0.35
FABP4 P15090 2/20 0.35
FABP3 P05413 1/20 0.35
FABP5 Q01469 1/20 0.35
SMN1; SMN2 Q16637 3/20 0.34
KMT2A Q03164 2/20 0.33

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
SCHEMBL1106863 0.80 POLB (0.53) POLBKDM4EATMMAPTALDH1A1
SCHEMBL21036342 0.78 KDM4E (0.52) POLBKDM4EATMMAPTALDH1A1
SCHEMBL16523772 0.78 KDM4E (0.62) POLBKDM4EATMMAPTALDH1A1
SCHEMBL10343050 0.78 KDM4E (0.52) POLBKDM4EATMMAPTALDH1A1
SCHEMBL5001806 0.78 KDM4E (0.52) POLBKDM4EATMMAPTALDH1A1
SCHEMBL19337053 0.78 IDO1 (0.42) POLBKDM4EMAPTALDH1A1RECQL
SCHEMBL19337101 0.78 TDP1 (0.43) POLBKDM4EATMMAPTALDH1A1
SCHEMBL24245206 0.77 POLB (0.50) POLBKDM4EATMMAPTALDH1A1
Hydrochloric Acid SCHEMBL8378279 0.77 KDM4E (0.50) POLBKDM4EATMMAPTALDH1A1
SCHEMBL2495680 0.77 POLB (0.59) POLBKDM4EATMMAPTALDH1A1

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
EP-3885344-A2 PYRIMIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2021-09-29 EP disclosed
EP-3686196-A1 POLYCYCLIC COMPOUND ACTING AS IDO INHIBITOR AND/OR IDO-HDAC DUAL INHIBITOR Hangzhou Innogate Pharma Co., Ltd. (CN) 2020-07-29 EP disclosed
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof INVENTISBIO SHANGHAI LTD. (CN) 2019-01-15 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
US-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF InventisBio Co., Ltd. (CN) 2017-12-14 US disclosed
EP-3216786-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF Shanghai Shaletech Technology Co., Ltd. (CN) 2017-09-13 EP disclosed
EP-2763990-B1 PYRROLOPYRAZINE KINASE INHIBITORS HOFFMANN LA ROCHE (CH) 2017-02-22 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-20170355696-A1 PYRIMIDINE OR PYRIDINE COMPOUNDS, PREPARATION METHOD THEREFOR AND PHARMACEUTICAL USES THEREOF EGFR, WEE1, DPYD POLB 573/4885KDM4E 2621/4885ATM 2815/4885
US-10179784-B2 Pyrimidine or pyridine compounds, preparation method therefor and pharmaceutical uses thereof EGFR, WEE1, DPYD POLB 595/4885KDM4E 2722/4885ATM 2959/4885

“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.