SCHEMBL4513162

SCHEMBL4513162

CCNc1nc2cc3nc(NCC)sc3cc2s1

nearest known ligand 0.49

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.49
NPC1 O15118 7/20 0.47
RAB9A P51151 7/20 0.47
SMN1; SMN2 Q16637 4/20 0.47
ALDH1A1 P00352 2/20 0.47
MAPT P10636 2/20 0.47
TP53 P04637 1/20 0.47
PKM P14618 1/20 0.47
HPGD P15428 1/20 0.47
HSD17B10 Q99714 1/20 0.47
GAA P10253 3/20 0.44
MAPK1 P28482 1/20 0.44
MAPK14 Q16539 1/20 0.41
SHMT2 P34897 1/20 0.41
RIPK1 Q13546 2/20 0.41
MEN1 O00255 2/20 0.40
KMT2A Q03164 2/20 0.40
KDM4E B2RXH2 1/20 0.40
LMNA P02545 1/20 0.40
ALOX12 P18054 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
SCHEMBL4500811 0.94 NPC1 (0.50) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4511805 0.87 POLB (0.45) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4495242 0.85 RIPK1 (0.49) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT
SCHEMBL15451030 0.80 DYRK1A (0.59) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL8019525 0.80 NPC1 (0.59) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL3795843 0.79 DYRK1A (0.60) POLBNPC1RAB9ASMN1; SMN2RIPK1
SCHEMBL27864412 0.79 MAPT (0.64) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL19141067 0.79 DYRK1A (0.46) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL7984841 0.79 SMN1; SMN2 (0.56) POLBNPC1RAB9ASMN1; SMN2ALDH1A1
SCHEMBL4512261 0.78 RIPK1 (0.50) NPC1RAB9ASMN1; SMN2ALDH1A1MAPT

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-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US claimed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 US claimed
US-8203001-B2 Chemical compounds BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2012-06-19 US disclosed
US-20090258857-A1 CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2009-10-15 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-20090258857-A1 CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 POLB 2129/4885NPC1 93/4885RAB9A 696/4885

“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.