SCHEMBL15440787

SCHEMBL15440787

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

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.52
▸ L3MBTL1 Q9Y468 2/20 0.52
▸ NPC1 O15118 1/20 0.52
▸ MITF O75030 1/20 0.52
▸ POLB P06746 1/20 0.52
▸ DNMT1 P26358 1/20 0.52
▸ RAD52 P43351 1/20 0.52
▸ RAB9A P51151 1/20 0.52
▸ KMT2A Q03164 1/20 0.52
▸ SMN1; SMN2 Q16637 1/20 0.52
▸ UHRF1 Q96T88 1/20 0.52
▸ RXRA P19793 3/20 0.43
▸ ADRA1A P35348 1/20 0.41
▸ HRH1 P35367 1/20 0.41
▸ ADRA1B P35368 1/20 0.41
▸ TOP2A P11388 5/20 0.41
▸ ADORA2A P29274 3/20 0.40
▸ CYP1A2 P05177 1/20 0.40
▸ FGR P09769 1/20 0.39
▸ PIM1 P11309 1/20 0.39

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
SCHEMBL15440511 0.94 RXRA (0.48) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL13281764 0.87 NPC1 (0.52) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440739 0.85 RAB9A (0.50) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL13468463 0.83 SMN1; SMN2 (0.46) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440804 0.82 HTT (0.67) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15449640 0.81 POLB (0.49) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440469 0.81 SMN1; SMN2 (0.47) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440528 0.81 SMN1; SMN2 (0.45) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL13468116 0.81 SMN1; SMN2 (0.46) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440706 0.81 KMT2A (0.46) HTTL3MBTL1NPC1MITFPOLB

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 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 HTT 3062/4885L3MBTL1 4332/4885NPC1 1872/4885

“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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