SCHEMBL9907450

SCHEMBL9907450

Cc1cnc2ccc(C(=O)O)cc2c1-c1ccc(F)cc1

nearest known ligand 0.46

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
NR4A2 P43354 1/20 0.46
BCL2L1 Q07817 1/20 0.45
BAD Q92934 1/20 0.45
CSNK2A2 P19784 1/20 0.44
CSNK2B P67870 1/20 0.44
PIK3CA P42336 3/20 0.43
MTOR P42345 3/20 0.43
MEN1 O00255 2/20 0.43
KMT2A Q03164 2/20 0.43
IP6K1 Q92551 2/20 0.43
IP6K3 Q96PC2 2/20 0.43
IP6K2 Q9UHH9 2/20 0.43
NPC1 O15118 1/20 0.43
POLB P06746 1/20 0.43
RAB9A P51151 1/20 0.43
MAP4K4 O95819 1/20 0.43
KDM4E B2RXH2 2/20 0.42
ALDH1A1 P00352 2/20 0.42
SMN1; SMN2 Q16637 1/20 0.42
DPP4 P27487 1/20 0.42

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
SCHEMBL15500515 0.88 PIK3CA (0.43) PIK3CAMTORMEN1KMT2AKDM4E
SCHEMBL9907360 0.88 ALDH1A1 (0.50) MEN1KMT2AIP6K1IP6K3IP6K2
SCHEMBL9907443 0.86 PIK3CA (0.53) PIK3CAMTORMEN1KMT2ANPC1
SCHEMBL9907361 0.84 HTR5A (0.49) MEN1KMT2AIP6K1IP6K3IP6K2
SCHEMBL9907500 0.84 HTR5A (0.52) NR4A2BCL2L1BADCSNK2A2CSNK2B
SCHEMBL9907400 0.84 HTR5A (0.54)
SCHEMBL9907832 0.83 HTR5A (0.60)
SCHEMBL9907449 0.82 HTR5A (0.50)
SCHEMBL9907401 0.82 HTR5A (0.46) CSNK2A2CSNK2BMEN1KMT2AIP6K1
SCHEMBL9907620 0.80 HTR5A (0.53) NR4A2BCL2L1BADCSNK2A2CSNK2B

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 6 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-8853242-B2 Nitrogenous-ring acylguanidine derivative ASTELLAS PHARMA INC. (JP) 2014-10-07 US disclosed
EP-2463276-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE Astellas Pharma Inc. (JP) 2012-06-13 EP disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
US-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE ASTELLAS PHARMA INC. (JP) 2012-06-07 US disclosed
WO-2011016504-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE アステラス製薬株式会社 (JP) 2011-02-10 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-20120142727-A1 NITROGENOUS-RING ACYLGUANIDINE DERIVATIVE HTR5A, HTR2A, HTR1E NR4A2 778/4885BCL2L1 1047/4885BAD 444/4885

“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.