SCHEMBL15440804

SCHEMBL15440804

CN(C)CCn1nc2c3c(cccc3c1=O)C(=O)c1ccccc1-2

nearest known ligand 0.67

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ HTT P42858 2/20 0.67
▸ L3MBTL1 Q9Y468 2/20 0.67
▸ NPC1 O15118 1/20 0.67
▸ MITF O75030 1/20 0.67
▸ POLB P06746 1/20 0.67
▸ DNMT1 P26358 1/20 0.67
▸ RAD52 P43351 1/20 0.67
▸ RAB9A P51151 1/20 0.67
▸ KMT2A Q03164 1/20 0.67
▸ SMN1; SMN2 Q16637 1/20 0.67
▸ UHRF1 Q96T88 1/20 0.67
▸ MAPK13 O15264 1/20 0.49
▸ EIF2AK2 P19525 1/20 0.49
▸ MAPK12 P53778 1/20 0.49
▸ MAPK11 Q15759 1/20 0.49
▸ MAPK14 Q16539 1/20 0.49
▸ ALDH1A1 P00352 3/20 0.47
▸ KDM4E B2RXH2 2/20 0.47
▸ HPGD P15428 2/20 0.47
▸ ADRA1A P35348 2/20 0.47

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
SCHEMBL13281541 0.85 HTT (0.52) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440787 0.82 HTT (0.52) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL13281764 0.82 NPC1 (0.52) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440739 0.81 RAB9A (0.50) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL30567461 0.80 POLB (1.00) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL12349852 0.80 POLB (1.00) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440670 0.80 POLB (0.60) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL13282030 0.79 NPC1 (0.46) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15449640 0.78 POLB (0.49) HTTL3MBTL1NPC1MITFPOLB
SCHEMBL15440469 0.78 SMN1; SMN2 (0.47) 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 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 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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