SCHEMBL9907402

SCHEMBL9907402

[C-]#[N+]c1ccc(-c2ccnc3ccc(C(=O)O)cc23)cc1

nearest known ligand 0.44

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PIK3CA P42336 2/20 0.44
SLC22A12 Q96S37 2/20 0.42
MAPKAPK2 P49137 1/20 0.40
CAMKK2 Q96RR4 3/20 0.40
CAMKK1 Q8N5S9 2/20 0.40
IP6K1 Q92551 6/20 0.40
IP6K3 Q96PC2 6/20 0.40
IP6K2 Q9UHH9 6/20 0.40
MEN1 O00255 1/20 0.38
NPC1 O15118 1/20 0.38
POLB P06746 1/20 0.38
RAB9A P51151 1/20 0.38
KMT2A Q03164 1/20 0.38
ALDH1A1 P00352 2/20 0.37
TP53 P04637 1/20 0.37
HSD17B10 Q99714 1/20 0.37
CSNK2A2 P19784 1/20 0.37
CSNK2B P67870 1/20 0.37
PLAU P00749 1/20 0.36
KDM4E B2RXH2 1/20 0.36

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
SCHEMBL9907398 0.85 ALOX15 (0.46) PIK3CASLC22A12CAMKK2ALDH1A1KDM4E
SCHEMBL9907326 0.83 PIK3CA (0.57) PIK3CACAMKK2CAMKK1IP6K1IP6K3
SCHEMBL9907815 0.83 HTR5A (0.42) PIK3CASLC22A12PLAUIKBKBCHUK
SCHEMBL9907407 0.83 CYP19A1 (0.38) SLC22A12IP6K1IP6K3IP6K2MEN1
SCHEMBL9909160 0.79 SLC22A12 (0.58) PIK3CASLC22A12MAPKAPK2CAMKK2CAMKK1
SCHEMBL9907345 0.78 KDM4C (0.41) PIK3CACAMKK2CAMKK1IP6K1IP6K3
SCHEMBL9907577 0.76 SLC22A12 (0.40) SLC22A12MAPKAPK2IP6K1IP6K3IP6K2
SCHEMBL9907412 0.74 KMO (0.50) PIK3CAMAPKAPK2CAMKK2CAMKK1IP6K1
SCHEMBL9907411 0.74 MPL (0.45) PIK3CASLC22A12MAPKAPK2CAMKK2CAMKK1
SCHEMBL9909215 0.74 RXRA (0.52) SLC22A12IP6K1IP6K3IP6K2ALKBH5

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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E PIK3CA 3492/4885SLC22A12 1751/4885MAPKAPK2 4333/4885

“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.