SCHEMBL3935970

SCHEMBL3935970

CN1CCN(CC(=O)NC(Sc2ncccc2C(=O)Nc2ccc(Cl)cc2)c2ccncc2)CC1

nearest known ligand 0.51

Predicted protein targets (top 19)

geneUniProtsupporting neighboursconfidence
KDR P35968 3/20 0.51
TP53 P04637 2/20 0.44
KMT2A Q03164 1/20 0.44
NPC1 O15118 1/20 0.43
TSHR P16473 1/20 0.43
NR3C1 P04150 1/20 0.41
LMNA P02545 2/20 0.41
ALK Q9UM73 1/20 0.40
TDP1 Q9NUW8 1/20 0.40
KCNA5 P22460 2/20 0.39
ATM Q13315 1/20 0.39
CNR1 P21554 1/20 0.39
POLB P06746 1/20 0.38
MAPT P10636 1/20 0.38
KDM4E B2RXH2 1/20 0.38
ALDH1A1 P00352 1/20 0.38
SMN1; SMN2 Q16637 1/20 0.38
NR4A1 P22736 1/20 0.38
ESR2 Q92731 1/20 0.38

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
SCHEMBL3923550 0.93 KDR (0.50) KDRTP53KMT2ANPC1TSHR
SCHEMBL1943124 0.93 KDR (0.53) KDRKMT2ANPC1TSHRLMNA
SCHEMBL3927564 0.90 KDR (0.51) KDRKMT2ANPC1TSHRNR3C1
SCHEMBL1939968 0.90 KDR (0.51) KDRKMT2ANPC1TSHRLMNA
SCHEMBL3925002 0.88 KMT2A (0.41) KDRKMT2ALMNAALKTDP1
SCHEMBL1942972 0.88 KMT2A (0.53) KDRKMT2ALMNAKCNA5ATM
SCHEMBL1940229 0.84 KDR (0.59) KDRKMT2ANPC1TSHRLMNA
SCHEMBL3935683 0.84 KDR (0.59) KDRKMT2ANPC1TSHRNR3C1
SCHEMBL3932869 0.84 KDR (0.49) KDRKMT2ANPC1TSHRNR3C1
SCHEMBL3921121 0.83 KDR (0.58) KDRKMT2ANPC1TSHRLMNA

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-7544703-B2 Cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2009-06-09 US disclosed
US-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein SANTEN PHARMACEUTICAL CO., LTD. (JP) 2007-06-28 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-20070149574-A1 Novel cyclic compound having 4-pyridylalkylthio group having substituted or unsubstituted amino group introduced therein FLT4, FLT1, TIE1 KDR 12/4885TP53 1624/4885KMT2A 2966/4885

“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.