SCHEMBL16097154

SCHEMBL16097154

Nc1nc(-c2ccncc2)nc(N)c1-c1ccncc1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
MAPT P10636 4/20 0.43
LMNA P02545 3/20 0.43
KDM4E B2RXH2 4/20 0.41
CYP2D6 P10635 2/20 0.41
CYP1A2 P05177 1/20 0.41
CYP3A4 P08684 1/20 0.41
CYP2C9 P11712 1/20 0.41
CYP2C19 P33261 1/20 0.41
ADORA2A P29274 2/20 0.41
ADORA1 P30542 1/20 0.41
CYP19A1 P11511 1/20 0.41
ALDH1A1 P00352 3/20 0.40
SMN1; SMN2 Q16637 3/20 0.40
MEN1 O00255 2/20 0.40
MAPK1 P28482 2/20 0.40
KMT2A Q03164 2/20 0.40
HRH4 Q9H3N8 1/20 0.40
CHRM1 P11229 1/20 0.40
TSHR P16473 1/20 0.40
KCNA1 Q09470 1/20 0.40

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
SCHEMBL11006461 0.84 MAPT (0.46) MAPTLMNAKDM4ECYP2D6ADORA2A
Hydrochloric Acid SCHEMBL11002866 0.82 MAPT (0.43) MAPTLMNACYP2D6CYP1A2ADORA2A
SCHEMBL7210202 0.79 MAPK14 (0.54) MAPK14
SCHEMBL4063890 0.78 DHPS (0.47) KDM4ECYP1A2ALDH1A1SMN1; SMN2MEN1
SCHEMBL980050 0.77 MAPT (0.62) MAPTLMNAKDM4ECYP2D6CYP1A2
SCHEMBL8490725 0.76 ADORA2A (0.56) MAPTLMNACYP2D6ADORA2AADORA1
SCHEMBL9791640 0.76 ADORA2A (0.62) MAPTLMNAKDM4ECYP2D6ADORA2A
SCHEMBL30866250 0.75 MAPT (0.59) MAPTLMNAKDM4ECYP2D6CYP1A2
SCHEMBL28038683 0.74 ADORA2A (0.52) MAPTLMNACYP2D6ADORA2AADORA1
SCHEMBL11516053 0.74 HRH4 (0.39) MAPTLMNAKDM4ECYP1A2ADORA2A

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 7 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2976334-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP claimed
WO-2014147144-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 WO claimed
US-20170275267-A1 SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2017-09-28 US disclosed
US-9416125-B2 2016-08-16 US disclosed
EP-2976334-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES Bayer Pharma Aktiengesellschaft (DE) 2016-01-27 EP disclosed
US-20150141372-A1 SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2015-05-21 US disclosed
WO-2014147144-A1 DIAMINOHETEROARYL SUBSTITUTED INDAZOLES BAYER PHARMA AKTIENGESELLSCHAFT (DE) 2014-09-25 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 (2 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-20150141372-A1 SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER BUB1, BUB1B, BUB3 MAPT 1867/4885LMNA 2784/4885KDM4E 2231/4885
US-20170275267-A1 SUBSTITUTED CYCLOALKENOPYRAZOLES AS BUB1 INHIBITORS FOR THE TREATMENT OF CANCER BUB1, BUB1B, BUB3 MAPT 1867/4885LMNA 2784/4885KDM4E 2231/4885

“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.