SCHEMBL470056

SCHEMBL470056

CSc1cc(Br)nn2c(I)cnc12

nearest known ligand 0.31

Predicted protein targets (top 6)

geneUniProtsupporting neighboursconfidence
▸ KDM4E B2RXH2 1/20 0.31
▸ ALDH1A1 P00352 1/20 0.31
▸ POLB P06746 1/20 0.31
▸ RAB9A P51151 1/20 0.31
▸ SMN1; SMN2 Q16637 1/20 0.31
▸ TDP1 Q9NUW8 1/20 0.31

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
SCHEMBL457469 0.78 ABL1 (0.30) —
SCHEMBL20882141 0.69 KDM4E (0.35) KDM4EALDH1A1POLBRAB9ASMN1; SMN2
SCHEMBL458421 0.67 TTK (0.36) —
SCHEMBL458023 0.66 IKBKB (0.32) KDM4EALDH1A1POLB
SCHEMBL23782086 0.65 HTR6 (0.32) —
SCHEMBL19336865 0.63 KDM4E (0.43) KDM4EPOLB
SCHEMBL456244 0.63 TTK (0.33) —
SCHEMBL455367 0.59 ABL1 (0.32) —
SCHEMBL31244494 0.58 — —
SCHEMBL627244 0.58 CDK2 (0.33) ALDH1A1

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 23 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 — — EP disclosed
EP-2961752-B1 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma AG (DE) 2017-09-13 — — EP disclosed
US-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 — — US disclosed
US-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 — — US disclosed
US-9512130-B2 Substituted imidazopyridazines BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-12-06 — — US disclosed
US-20160175306-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — US disclosed
US-20160175306-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — US disclosed
US-20160175306-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-06-23 — — US disclosed
EP-3007698-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER Bayer Pharma Aktiengesellschaft (DE) 2016-04-20 — — EP disclosed
US-9255100-B2 Substituted imidazopyridazines BAYER INTELLECTUAL PROPERTY GMBH (DE) 2016-02-09 — — US disclosed
US-20160016959-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2016-01-21 — — US disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 — — EP disclosed
EP-2614063-B1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER IP GMBH (DE) 2016-01-13 — — EP disclosed
EP-2961752-A2 SUBSTITUTED IMIDAZOPYRIDAZINES Bayer Pharma Aktiengesellschaft (DE) 2016-01-06 — — EP disclosed
WO-2014198776-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-12-18 — — WO disclosed
WO-2014131739-A2 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-04 — — WO disclosed
WO-2014131739-A2 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-04 — — WO disclosed
WO-2014020041-A1 COMBINATIONS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-02-06 — — WO disclosed
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER INTELLECTUAL PROPERTY GMBH (DE) 2013-12-19 — — US disclosed
WO-2012032031-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2012-03-15 — — 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 (3 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-20160175306-A1 COMBINATION OF A IMIDAZOPYRIDAZINE DERIVATIVE AND A MITOTIC AGENT FOR THE TREATMENT OF CANCER BUB1, BUB1B, CDK1 KDM4E 2860/4885ALDH1A1 3808/4885POLB 2574/4885
US-20160016959-A1 SUBSTITUTED IMIDAZOPYRIDAZINES VEGFA, PGF, VHL KDM4E 1795/4885ALDH1A1 776/4885POLB 909/4885
US-20130338133-A1 SUBSTITUTED IMIDAZOPYRIDAZINES BUB1, TTBK1, BUB1B KDM4E 3968/4885ALDH1A1 3389/4885POLB 1375/4885

“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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