SCHEMBL2804906

SCHEMBL2804906

NC(=O)c1ccc(Nc2ccc(Cl)cc2C(F)(F)F)cn1

nearest known ligand 0.53

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
FLT3 P36888 8/20 0.53
KIT P10721 6/20 0.53
RAB9A P51151 2/20 0.46
CYP1A2 P05177 1/20 0.46
CYP2D6 P10635 1/20 0.46
CYP2C19 P33261 1/20 0.46
KMT2A Q03164 1/20 0.46
MAPK10 P53779 2/20 0.43
KDM4E B2RXH2 1/20 0.43
GAA P10253 1/20 0.41
DHODH Q02127 1/20 0.41
VNN1 O95497 1/20 0.41
TP53 P04637 1/20 0.40
MAPT P10636 1/20 0.40
SMN1; SMN2 Q16637 1/20 0.40
F11 P03951 1/20 0.40
PTK2 Q05397 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
Trifluoroacetic Acid SCHEMBL185939 0.95 FLT3 (0.49) FLT3KITRAB9ACYP1A2CYP2D6
SCHEMBL186306 0.88 RAB9A (0.46) FLT3KITRAB9ACYP1A2CYP2D6
SCHEMBL185950 0.88 FLT3 (0.55) FLT3KITKMT2AMAPK10VNN1
Hydrochloric Acid SCHEMBL2805862 0.86 FLT3 (0.54) FLT3KITKMT2AMAPK10VNN1
SCHEMBL2780905 0.82 FLT3 (0.57) FLT3KITKMT2AMAPK10PTK2
Trifluoroacetic Acid SCHEMBL185821 0.81 FLT3 (0.49) FLT3KITKMT2AMAPK10VNN1
Trifluoroacetic Acid SCHEMBL2807127 0.81 FLT3 (0.49) FLT3KITKMT2AMAPK10VNN1
SCHEMBL2811620 0.81 RAB9A (0.39) FLT3KITRAB9ACYP1A2CYP2D6
SCHEMBL14856502 0.81 RAB9A (0.39) FLT3KITRAB9ACYP1A2CYP2D6
SCHEMBL2811623 0.81 RAB9A (0.39) FLT3KITRAB9ACYP1A2CYP2D6

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-20130131075-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2013-05-23 US disclosed
US-20100240669-A1 NEW COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-09-23 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 (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-20130131075-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FLT3 632/4885KIT 989/4885RAB9A 347/4885
US-20100240669-A1 NEW COMPOUNDS ADORA1, H1-10, P2RY11 FLT3 632/4885KIT 989/4885RAB9A 347/4885

“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.