SCHEMBL13468463

SCHEMBL13468463

CN(C)CCn1nc2c3c(c(NCCN)ccc3c1=O)C(=O)c1ccccc1-2

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ SMN1; SMN2 Q16637 2/20 0.46
▸ NPC1 O15118 1/20 0.46
▸ MITF O75030 1/20 0.46
▸ POLB P06746 1/20 0.46
▸ DNMT1 P26358 1/20 0.46
▸ HTT P42858 1/20 0.46
▸ RAD52 P43351 1/20 0.46
▸ RAB9A P51151 1/20 0.46
▸ KMT2A Q03164 1/20 0.46
▸ UHRF1 Q96T88 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ EHMT2 Q96KQ7 5/20 0.41
▸ TOP2A P11388 3/20 0.41
▸ BRCA1 P38398 1/20 0.37
▸ HIF1A Q16665 1/20 0.37
▸ KAT2B Q92831 2/20 0.37
▸ ADRA1A P35348 1/20 0.37
▸ HRH1 P35367 1/20 0.37
▸ ADRA1B P35368 1/20 0.37
▸ MALT1 Q9UDY8 1/20 0.37

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
SCHEMBL15440528 0.94 SMN1; SMN2 (0.45) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL15449640 0.91 POLB (0.49) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL13468116 0.90 SMN1; SMN2 (0.46) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL15440705 0.89 POLB (0.57) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL15440679 0.89 POLB (0.47) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL15440739 0.87 RAB9A (0.50) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL15440706 0.86 KMT2A (0.46) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL15440713 0.86 EHMT2 (0.45) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL13281984 0.86 SMN1; SMN2 (0.42) SMN1; SMN2NPC1MITFPOLBDNMT1
SCHEMBL15440469 0.83 SMN1; SMN2 (0.47) SMN1; SMN2NPC1MITFPOLBDNMT1

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 5 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
WO-2012141604-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS INSTYTUT FARMACEUTYCZNY (PL) 2012-10-18 — — 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-20140031357-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS ABCC1, ABCC3, ABCB1 SMN1; SMN2 4813/4885NPC1 1872/4885MITF 4186/4885

“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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