SCHEMBL13282030

SCHEMBL13282030

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

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ NPC1 O15118 2/20 0.46
▸ RAB9A P51151 2/20 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
▸ KMT2A Q03164 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.46
▸ UHRF1 Q96T88 1/20 0.46
▸ L3MBTL1 Q9Y468 1/20 0.46
▸ TOP2A P11388 2/20 0.37
▸ KAT2B Q92831 3/20 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
▸ MAPK13 O15264 1/20 0.34
▸ EIF2AK2 P19525 1/20 0.34
▸ MAPK12 P53778 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
SCHEMBL15440660 0.86 RAB9A (0.43) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL13468463 0.81 SMN1; SMN2 (0.46) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL13281541 0.81 HTT (0.52) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL15440804 0.79 HTT (0.67) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL15440670 0.76 POLB (0.60) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL15440528 0.76 SMN1; SMN2 (0.45) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL15440787 0.72 HTT (0.52) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL15449640 0.72 POLB (0.49) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL13468116 0.71 SMN1; SMN2 (0.46) NPC1RAB9AMITFPOLBDNMT1
SCHEMBL15440739 0.71 RAB9A (0.50) NPC1RAB9AMITFPOLBDNMT1

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 6 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
EP-2697205-A1 ASYMMETRICALLY SUBSTITUTED ANTHRAPYRIDAZONE DERIVATIVES AS CYTOSTATICS BS-154 SP. Z O.O. (PL) 2014-02-19 — — EP 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 NPC1 1872/4885RAB9A 2277/4885MITF 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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