SCHEMBL13281324

SCHEMBL13281324

O=C1c2ccccc2-c2nn(CCNN3CCCCC3)c(=O)c3ccc(NCCNCc4ccccc4)c1c23

nearest known ligand 0.40

Predicted protein targets (top 16)

geneUniProtsupporting neighboursconfidence
▸ TOP2A P11388 1/20 0.40
▸ ADORA2A P29274 4/20 0.38
▸ ADORA1 P30542 4/20 0.38
▸ EHMT2 Q96KQ7 11/20 0.37
▸ POLB P06746 1/20 0.35
▸ MAPT P10636 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ HTT P42858 1/20 0.35
▸ KMT2A Q03164 1/20 0.35
▸ SMN1; SMN2 Q16637 1/20 0.35
▸ TOP2B Q02880 1/20 0.35
▸ GSK3A P49840 1/20 0.34
▸ GSK3B P49841 1/20 0.34
▸ CDK5 Q00535 1/20 0.34
▸ CDK5R1 Q15078 1/20 0.34
▸ DPP7 Q9UHL4 1/20 0.33

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
SCHEMBL15440687 0.81 ADORA2A (0.41) ADORA2AADORA1EHMT2POLBMAPT
SCHEMBL15440706 0.75 KMT2A (0.46) TOP2AEHMT2POLBMAPTMAPK1
SCHEMBL15440679 0.73 POLB (0.47) TOP2AEHMT2POLBMAPTMAPK1
SCHEMBL13281983 0.72 KMT2A (0.47) POLBMAPTMAPK1HTTKMT2A
SCHEMBL13468116 0.71 SMN1; SMN2 (0.46) TOP2AEHMT2POLBHTTKMT2A
SCHEMBL15449640 0.70 POLB (0.49) TOP2AEHMT2POLBMAPTMAPK1
SCHEMBL15440528 0.70 SMN1; SMN2 (0.45) TOP2AEHMT2POLBMAPTMAPK1
SCHEMBL13468463 0.69 SMN1; SMN2 (0.46) TOP2AEHMT2POLBHTTKMT2A
SCHEMBL15440713 0.69 EHMT2 (0.45) TOP2AEHMT2POLBMAPTMAPK1
SCHEMBL15440705 0.68 POLB (0.57) TOP2AEHMT2POLBMAPTMAPK1

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-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 TOP2A 12/4885ADORA2A 665/4885ADORA1 587/4885

“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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