SCHEMBL15440660

SCHEMBL15440660

CN(C)CCn1nc2c3c(cc(NCCNCc4ccccc4)cc3c1=O)C(=O)c1ccccc1-2

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ RAB9A P51151 3/20 0.43
▸ NPC1 O15118 2/20 0.43
▸ POLB P06746 2/20 0.43
▸ KMT2A Q03164 2/20 0.43
▸ L3MBTL1 Q9Y468 2/20 0.43
▸ MITF O75030 1/20 0.43
▸ DNMT1 P26358 1/20 0.43
▸ HTT P42858 1/20 0.43
▸ RAD52 P43351 1/20 0.43
▸ SMN1; SMN2 Q16637 1/20 0.43
▸ UHRF1 Q96T88 1/20 0.43
▸ PLK1 P53350 2/20 0.36
▸ ADRA1A P35348 1/20 0.36
▸ HRH1 P35367 1/20 0.36
▸ ADRA1B P35368 1/20 0.36
▸ OPRM1 P35372 1/20 0.34
▸ OPRK1 P41145 1/20 0.34
▸ ALDH1A1 P00352 2/20 0.34
▸ MAPT P10636 2/20 0.34
▸ MALT1 Q9UDY8 1/20 0.34

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
SCHEMBL13282030 0.86 NPC1 (0.46) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL13281541 0.77 HTT (0.52) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL15440804 0.75 HTT (0.67) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL15440706 0.75 KMT2A (0.46) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL15440670 0.74 POLB (0.60) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL15440679 0.72 POLB (0.47) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL13468116 0.70 SMN1; SMN2 (0.46) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL15449640 0.69 POLB (0.49) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL15440528 0.69 SMN1; SMN2 (0.45) RAB9ANPC1POLBKMT2AL3MBTL1
SCHEMBL13468463 0.68 SMN1; SMN2 (0.46) RAB9ANPC1POLBKMT2AL3MBTL1

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-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

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 RAB9A 2277/4885NPC1 1872/4885POLB 1452/4885

“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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