SCHEMBL17447627

SCHEMBL17447627

Clc1ccnc2c(I)cnn12

nearest known ligand 0.39

Predicted protein targets (top 13)

geneUniProtsupporting neighboursconfidence
MAPT P10636 3/20 0.39
RAB9A P51151 3/20 0.39
NPC1 O15118 2/20 0.39
SMN1; SMN2 Q16637 2/20 0.39
KDM4E B2RXH2 5/20 0.34
ALDH1A1 P00352 4/20 0.34
HTT P42858 1/20 0.33
NFKB1 P19838 1/20 0.33
NFKB2 Q00653 1/20 0.33
RELA Q04206 1/20 0.33
HPGD P15428 1/20 0.31
CLK4 Q9HAZ1 1/20 0.31
GPR119 Q8TDV5 1/20 0.31

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
SCHEMBL20565707 0.80 RAB9A (0.41) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL30579310 0.77 SMPD3 (0.35) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20565659 0.77 RAB9A (0.39) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL13304717 0.77 RAB9A (0.42) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL1244741 0.77 AXL (0.43) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL23104339 0.77 KDM4E (0.56) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL20558034 0.77 GPR119 (0.36) MAPTRAB9ANPC1SMN1; SMN2KDM4E
SCHEMBL23728449 0.73 KDM4E (0.37) KDM4EHTTCLK4
SCHEMBL23728419 0.73 GPR119 (0.36) KDM4EALDH1A1HTTHPGDCLK4
SCHEMBL3321504 0.73 KDM4E (0.34) KDM4EHTT

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
EP-3169671-B1 1-(5-(TERT.-BUTYL)ISOXAZOL-3-YL)-3-(4-((PHENYL)ETHYNYL)PHENYL)UREA DERIVATIVES AND RELATED COMPOUNDS AS FLT3 INHIBITORS FOR TREATING CANCER SUNSHINE LAKE PHARMA CO LTD (CN) 2019-08-21 EP disclosed
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof SUNSHINE LAKE PHARMA CO., LTD. (CN) 2018-09-04 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
US-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2017-04-27 US disclosed
WO-2016008433-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF SUNSHINE LAKE PHARMA CO., LTD. (CN) 2016-01-21 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 (2 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-20170114032-A1 SUBSTITUTED UREA DERIVATIVES AND PHARMACEUTICAL USES THEREOF ULK2, ULK3, ULK1 MAPT 857/4885RAB9A 1735/4885NPC1 1201/4885
US-10065934-B2 Substituted urea derivatives and pharmaceutical uses thereof ULK2, ULK3, ULK1 MAPT 857/4885RAB9A 1735/4885NPC1 1201/4885

“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.