SCHEMBL3593875

SCHEMBL3593875

Cc1nc2c(-c3ccc(N4CCN(C)CC4)cc3)cnn2c(N)c1-c1ccc(N)cc1

nearest known ligand 0.61

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
KMT2A Q03164 6/20 0.61
MEN1 O00255 5/20 0.61
NPC1 O15118 5/20 0.61
RAB9A P51151 5/20 0.61
CASP3 P42574 2/20 0.60
SENP8 Q96LD8 2/20 0.60
SENP7 Q9BQF6 2/20 0.60
SENP6 Q9GZR1 2/20 0.60
LCK P06239 10/20 0.58
KDR P35968 10/20 0.58
HCK P08631 9/20 0.58
SRC P12931 8/20 0.58
BLM P54132 1/20 0.56
NCOA1 Q15788 1/20 0.56
NCOA3 Q9Y6Q9 1/20 0.56
RXFP1 Q9HBX9 1/20 0.53
KDM4E B2RXH2 1/20 0.48
ALDH1A1 P00352 1/20 0.48
GAA P10253 1/20 0.48
MAPT P10636 1/20 0.48

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
Hydrochloric Acid SCHEMBL3585873 0.99 KMT2A (0.60) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL4184434 0.93 NPC1 (0.72) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL4178000 0.92 MEN1 (0.75) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL3596913 0.89 LCK (0.67) KMT2AMEN1NPC1RAB9ACASP3
Hydrochloric Acid SCHEMBL3599288 0.88 LCK (0.66) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL3584089 0.87 MEN1 (0.53) KMT2AMEN1NPC1RAB9ACASP3
Hydrochloric Acid SCHEMBL4306627 0.86 MEN1 (0.53) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL4182112 0.85 LCK (0.56) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL4170265 0.84 MEN1 (0.58) KMT2AMEN1NPC1RAB9ACASP3
SCHEMBL3588495 0.82 LCK (0.83) KMT2AMEN1NPC1RAB9ALCK

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-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 US disclosed
US-20100029636-A1 Lck inhibitors NOVARTIS AG (CH) 2010-02-04 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-20100029636-A1 Lck inhibitors LCK, ZAP70, FYN KMT2A 1321/4885MEN1 4411/4885NPC1 3655/4885

“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.