SCHEMBL23416935

SCHEMBL23416935

Clc1cnc(-c2ccc[nH]2)nc1

nearest known ligand 0.38

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDM4C Q9H3R0 1/20 0.38
▸ MEN1 O00255 2/20 0.35
▸ KMT2A Q03164 2/20 0.35
▸ HDAC1 Q13547 1/20 0.33
▸ HDAC6 Q9UBN7 1/20 0.33
▸ CNR1 P21554 1/20 0.33
▸ CDK5 Q00535 1/20 0.33
▸ CDK5R1 Q15078 1/20 0.33
▸ NPC1 O15118 2/20 0.33
▸ RAB9A P51151 2/20 0.33
▸ SMN1; SMN2 Q16637 2/20 0.33
▸ HSD17B10 Q99714 2/20 0.33
▸ IKBKE Q14164 1/20 0.32
▸ TBK1 Q9UHD2 1/20 0.32
▸ KDR P35968 1/20 0.32
▸ CHRNB4 P30926 1/20 0.32
▸ CHRNA3 P32297 1/20 0.32
▸ ATM Q13315 1/20 0.32
▸ ADRA2A P08913 1/20 0.32
▸ ADRA2C P18825 1/20 0.32

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
SCHEMBL15219273 0.79 KDM4C (0.38) KDM4CHDAC1HDAC6CDK5CDK5R1
SCHEMBL442421 0.78 KDM4C (0.46) KDM4CHDAC1HDAC6CDK5CDK5R1
SCHEMBL23416925 0.78 KDR (0.43) KDM4CMEN1KMT2ACNR1KDR
SCHEMBL10498353 0.77 KDM4C (0.34) KDM4CHDAC1HDAC6CDK5CDK5R1
SCHEMBL11919035 0.75 IDO1 (0.36) KDM4CHDAC1HDAC6CDK5CDK5R1
SCHEMBL11916028 0.75 KDM4C (0.35) KDM4CHDAC1HDAC6CDK5CDK5R1
SCHEMBL2804255 0.74 KDM4C (0.40) KDM4CHDAC1HDAC6CDK5CDK5R1
SCHEMBL17694181 0.72 KDM4C (0.40) KDM4CHDAC1HDAC6CDK5CDK5R1
SCHEMBL21143892 0.71 KDM4C (0.38) KDM4CMEN1KMT2AHDAC1HDAC6
SCHEMBL24054273 0.71 KDM4C (0.41) KDM4CMEN1KMT2AHDAC1HDAC6

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-20230058961-A1 SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV NATIONAL INSTITUTES OF HEALTH 2023-02-23 — — US disclosed
WO-2021102114-A1 SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV NEW YORK BLOOD CENTER, INC. (US) 2021-05-27 — — WO 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 (1 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-20230058961-A1 SUBSTITUTED HETEROCYCLICS WITH THERAPEUTIC ACTIVITY IN HIV CD4, NFATC1, PAICS KDM4C 1440/4885MEN1 4531/4885KMT2A 1526/4885

“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.

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