SCHEMBL1245095

SCHEMBL1245095

N=C1OCCN1c1cccc(CN2Cc3ccnc(NC(=O)c4ccc(Cl)s4)c3C2=O)c1

nearest known ligand 0.43

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
F10 P00742 10/20 0.43
MEN1 O00255 3/20 0.35
KMT2A Q03164 3/20 0.35
ALDH1A1 P00352 3/20 0.35
USP2 O75604 2/20 0.35
MAPT P10636 2/20 0.35
TDP1 Q9NUW8 2/20 0.35
POLB P06746 1/20 0.35
ESR2 Q92731 1/20 0.35
NPC1 O15118 1/20 0.35
RAB9A P51151 1/20 0.35
ACKR3 P25106 1/20 0.35
PDPK1 O15530 1/20 0.34
CYP3A4 P08684 1/20 0.33
CYP2C8 P10632 1/20 0.33
CYP2C9 P11712 1/20 0.33
KCNH2 Q12809 1/20 0.33
KLKB1 P03952 1/20 0.33
TP53 P04637 1/20 0.33
PREP P48147 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
SCHEMBL8225168 0.88 F10 (0.51) F10MEN1KMT2AALDH1A1NPC1
SCHEMBL8230473 0.88 F10 (0.47) F10MEN1KMT2AALDH1A1USP2
SCHEMBL8220885 0.87 F10 (0.46) F10MEN1KMT2AALDH1A1NPC1
SCHEMBL1245688 0.85 F10 (0.46) F10MEN1KMT2AALDH1A1USP2
SCHEMBL1244974 0.85 F10 (0.48) F10MEN1KMT2AALDH1A1MAPT
SCHEMBL3616876 0.85 F10 (0.44) F10MEN1KMT2AALDH1A1USP2
SCHEMBL8220700 0.84 F10 (0.43) F10MEN1KMT2ANPC1RAB9A
SCHEMBL8220703 0.84 F10 (0.40) F10MEN1KMT2AALDH1A1NPC1
SCHEMBL12889141 0.84 F10 (0.43) F10MEN1KMT2ANPC1RAB9A
SCHEMBL8225326 0.84 F10 (0.51) F10MEN1KMT2ANPC1RAB9A

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
US-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2011-02-10 US disclosed
WO-2007137793-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF BAYER HEALTHCARE AG (DE) 2007-12-06 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-20110034467-A1 DIHYDRO-PYRROLOPYRIDINE-, DIHYDRO-PYRROLOPYRIDAZINE- AND DIHYDRO-PYRROLOPYRIMIDINE-DERIVATIVES AND USE THEREOF DPYD, QDPR, DHPS F10 1315/4885MEN1 2047/4885KMT2A 3603/4885

“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.