SCHEMBL15440687

SCHEMBL15440687

Nc1ccc2c(=O)n(CCNN3CCCCC3)nc3c2c1C(=O)c1ccccc1-3

nearest known ligand 0.41

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ADORA2A P29274 11/20 0.41
▸ ADORA1 P30542 9/20 0.41
▸ HTT P42858 3/20 0.41
▸ POLB P06746 2/20 0.41
▸ KMT2A Q03164 2/20 0.41
▸ SMN1; SMN2 Q16637 2/20 0.41
▸ MAPT P10636 1/20 0.41
▸ MAPK1 P28482 1/20 0.41
▸ L3MBTL1 Q9Y468 2/20 0.38
▸ NPC1 O15118 1/20 0.38
▸ MITF O75030 1/20 0.38
▸ DNMT1 P26358 1/20 0.38
▸ RAD52 P43351 1/20 0.38
▸ RAB9A P51151 1/20 0.38
▸ UHRF1 Q96T88 1/20 0.38
▸ KDM4E B2RXH2 1/20 0.37
▸ ALDH1A1 P00352 1/20 0.37
▸ HPGD P15428 1/20 0.37
▸ HSD17B10 Q99714 1/20 0.37
▸ EHMT2 Q96KQ7 4/20 0.35

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
SCHEMBL15440849 0.86 HTT (0.44) ADORA2AADORA1HTTPOLBKMT2A
SCHEMBL13281324 0.81 TOP2A (0.40) ADORA2AADORA1HTTPOLBKMT2A
SCHEMBL15440619 0.79 HTT (0.56) ADORA2AADORA1HTTPOLBKMT2A
SCHEMBL15440787 0.77 HTT (0.52) ADORA2AADORA1HTTPOLBKMT2A
SCHEMBL15440511 0.76 RXRA (0.48) ADORA2AADORA1HTTPOLBKMT2A
SCHEMBL13282046 0.67 TOP2A (0.45) ADORA2AHTTPOLBKMT2ASMN1; SMN2
SCHEMBL15440865 0.67 HTT (0.56) HTTPOLBKMT2ASMN1; SMN2MAPT
SCHEMBL12349851 0.66 ALDH1A1 (0.65) HTTPOLBKMT2ASMN1; SMN2L3MBTL1
SCHEMBL15440528 0.65 SMN1; SMN2 (0.45) HTTPOLBKMT2ASMN1; SMN2MAPT
SCHEMBL13281764 0.65 NPC1 (0.52) HTTPOLBKMT2ASMN1; SMN2L3MBTL1

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-9096536-B2 Asymmetrically substituted anthrapyridazone derivatives as cytostatics BS-154 S.P. ZO.O. (PL) 2015-08-04 — — US claimed
US-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 — — US claimed
US-9096536-B2 Asymmetrically substituted anthrapyridazone derivatives as cytostatics BS-154 S.P. ZO.O. (PL) 2015-08-04 — — US disclosed
US-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-01-30 — — 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 (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-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS ABCC1, ABCC3, ABCB1 ADORA2A 665/4885ADORA1 587/4885HTT 3062/4885

“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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