SCHEMBL22247489

SCHEMBL22247489

CN[C@@H]1CCC[C@H](Nc2nc(Cl)ncc2F)C1

nearest known ligand 0.70

Predicted protein targets (top 8)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 1/20 0.70
AXL P30530 1/20 0.43
ALDH1A1 P00352 1/20 0.40
L3MBTL1 Q9Y468 1/20 0.40
ADORA3 P0DMS8 2/20 0.38
ADORA2A P29274 2/20 0.38
ADORA1 P30542 2/20 0.38
BCL6 P41182 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
SCHEMBL1934273 0.87 KMT2A (0.91) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL22866360 0.84 KMT2A (0.97) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL16199054 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL10008381 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL29200245 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL9977770 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL17518644 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL2142331 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL2126173 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3
SCHEMBL2142335 0.84 KMT2A (0.70) KMT2AAXLALDH1A1L3MBTL1ADORA3

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-11117887-B2 Aryl substituted pyrimidines for use in influenza virus infection Janssen Sciences Ireland Unlimited Company (IE) 2021-09-14 US disclosed
US-20200231577-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE INFLUENZA VIRUS INFECTION Janssen Sciences Ireland Unlimited Company (IE) 2020-07-23 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-11117887-B2 Aryl substituted pyrimidines for use in influenza virus infection HPRT1, TYMP, PNP KMT2A 1488/4885AXL 489/4885ALDH1A1 119/4885
US-20200231577-A1 ARYL SUBSTITUTED PYRIMIDINES FOR USE INFLUENZA VIRUS INFECTION HPRT1, TYMP, UMPS KMT2A 1500/4885AXL 436/4885ALDH1A1 100/4885

“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.