SCHEMBL16303667

SCHEMBL16303667

Nc1n[nH]c2cccc(-n3cc([N+](=O)[O-])cn3)c12

nearest known ligand 0.40

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ GAA P10253 2/20 0.40
▸ PDPK1 O15530 1/20 0.40
▸ MAP2K1 Q02750 2/20 0.38
▸ JAK2 O60674 3/20 0.38
▸ TYK2 P29597 2/20 0.38
▸ JAK3 P52333 2/20 0.38
▸ JAK1 P23458 1/20 0.38
▸ KDR P35968 4/20 0.37
▸ KIT P10721 2/20 0.37
▸ FLT3 P36888 2/20 0.37
▸ CDK2 P24941 4/20 0.36
▸ CCNE2 O96020 2/20 0.36
▸ CCNE1 P24864 2/20 0.36
▸ CCNT1 O60563 1/20 0.36
▸ CDK4 P11802 1/20 0.36
▸ CCND1 P24385 1/20 0.36
▸ CDK9 P50750 1/20 0.36
▸ MGAM O43451 1/20 0.36
▸ SI P14410 1/20 0.36
▸ MGAM2 Q2M2H8 1/20 0.36

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
SCHEMBL16562350 0.75 GAA (0.33) GAAMGAMSIMGAM2MAPT
SCHEMBL19846879 0.72 ABL1 (0.41) GAAPDPK1MAP2K1JAK2TYK2
SCHEMBL16303448 0.71 KDR (0.59) JAK2TYK2JAK3KDRKIT
SCHEMBL16559768 0.71 KDR (0.47) JAK2TYK2JAK3KDRKIT
SCHEMBL837904 0.71 GAA (0.53) GAAPDPK1MAP2K1JAK2TYK2
SCHEMBL16681387 0.71 GAA (0.49) GAAPDPK1MAP2K1JAK2TYK2
SCHEMBL16681145 0.70 GAA (0.47) GAAPDPK1MAP2K1JAK2TYK2
SCHEMBL22633304 0.69 F2 (0.55) GAAMGAMSIMGAM2MAPT
SCHEMBL26696807 0.69 F2 (0.46) GAAMGAMSIMGAM2MAPT
SCHEMBL26697059 0.69 F2 (0.43) GAAMGAMSIMGAM2MAPT

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
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
WO-2014201127-A2 UREA DERIVATIVES AND USES THEREOF KALA PHARMACEUTICALS, INC. (US) 2014-12-18 — — 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 (3 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 GAA 491/4885PDPK1 2901/4885MAP2K1 1573/4885
US-20170129876-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 GAA 491/4885PDPK1 2901/4885MAP2K1 1573/4885
US-20160060264-A1 UREA DERIVATIVES AND USES THEREOF UACA, RB1, FLT1 GAA 491/4885PDPK1 2901/4885MAP2K1 1573/4885

“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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