SCHEMBL16559769

SCHEMBL16559769

Cc1ccc(C)c(NC(=O)Nc2cnn(-c3cccc4[nH]nc(N)c34)c2)c1

nearest known ligand 0.53

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ KDR P35968 20/20 0.53
▸ KIT P10721 13/20 0.53
▸ FLT3 P36888 12/20 0.53
▸ CSF1R P07333 9/20 0.53
▸ FLT1 P17948 9/20 0.53
▸ FLT4 P35916 9/20 0.53
▸ LYN P07948 8/20 0.53
▸ SRC P12931 8/20 0.53
▸ BLK P51451 8/20 0.53
▸ CDK19 Q9BWU1 3/20 0.53
▸ ABL1 P00519 3/20 0.53
▸ PDGFRB P09619 3/20 0.53
▸ PLK4 O00444 2/20 0.53
▸ AURKA O14965 2/20 0.53
▸ DYRK3 O43781 2/20 0.53
▸ ROCK2 O75116 2/20 0.53
▸ RPS6KA5 O75582 2/20 0.53
▸ RPS6KA4 O75676 2/20 0.53
▸ INSR P06213 2/20 0.53
▸ FES P07332 2/20 0.53

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
SCHEMBL16303633 0.91 KDR (0.65) KDRKITFLT3CSF1RFLT1
SCHEMBL18559619 0.89 KDR (0.51) KDRKITFLT3CSF1RFLT1
SCHEMBL16303448 0.83 KDR (0.59) KDRKITFLT3CSF1RFLT1
SCHEMBL16559768 0.83 KDR (0.47) KDRKITFLT3CSF1RFLT1
SCHEMBL18559622 0.73 KDR (0.38) KDRKITFLT3CSF1RFLT1
SCHEMBL16303695 0.70 KDR (0.78) KDRKITFLT3CSF1RFLT1
SCHEMBL422415 0.70 KDR (0.79) KDRKITFLT3CSF1RFLT1
Linifanib SCHEMBL29375368 0.69 KDR (1.00) KDRKITFLT3CSF1RFLT1
Linifanib SCHEMBL93804 0.69 KDR (1.00) KDRKITFLT3CSF1RFLT1
SCHEMBL25779641 0.69 KDR (0.70) KDRKITFLT3CSF1RFLT1

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 8 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — US disclosed
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2018-02-08 — — US disclosed
US-9802922-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-10-31 — — US disclosed
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2017-05-11 — — US disclosed
US-9580421-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2017-02-28 — — US disclosed
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2016-03-03 — — US disclosed
US-9212145-B2 Urea derivatives and uses thereof KALA PHARMACEUTICALS, INC. (US) 2015-12-15 — — US disclosed
US-20150072986-A1 UREA DERIVATIVES AND USES THEREOF KALA BIO, Inc. 2015-03-12 — — 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 (5 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-20150072986-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 KDR 6/4885KIT 51/4885FLT3 62/4885
US-20180037572-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 KDR 6/4885KIT 51/4885FLT3 62/4885
US-20180037573-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 KDR 6/4885KIT 51/4885FLT3 62/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 KDR 6/4885KIT 51/4885FLT3 62/4885
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 KDR 6/4885KIT 51/4885FLT3 62/4885

“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.

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