SCHEMBL16038484

SCHEMBL16038484

O=C(NC1CC1)c1cc(Cl)ccn1

nearest known ligand 0.56

Predicted protein targets (top 9)

geneUniProtsupporting neighboursconfidence
SMYD3 Q9H7B4 2/20 0.56
ANO1 Q5XXA6 4/20 0.54
GRM5 P41594 6/20 0.53
KDM4C Q9H3R0 1/20 0.52
ACKR3 P25106 1/20 0.52
NPC1 O15118 1/20 0.50
RAB9A P51151 1/20 0.50
NUDT1 P36639 1/20 0.48
L3MBTL1 Q9Y468 1/20 0.48

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
SCHEMBL26922153 0.94 ANO1 (0.58) ANO1GRM5ACKR3NPC1RAB9A
SCHEMBL26922393 0.92 ANO1 (0.60) ANO1GRM5ACKR3NPC1RAB9A
SCHEMBL16038662 0.87 GRM5 (0.49) SMYD3ANO1GRM5KDM4CACKR3
SCHEMBL25592912 0.81 SMYD3 (0.56) SMYD3ANO1GRM5NPC1RAB9A
SCHEMBL244667 0.80 SMYD3 (0.66) SMYD3ANO1GRM5ACKR3
SCHEMBL244445 0.78 SMYD3 (0.67) SMYD3ANO1GRM5
SCHEMBL15820978 0.78 SMYD3 (0.53) SMYD3ANO1GRM5NPC1RAB9A
SCHEMBL19909568 0.78 SMYD3 (0.53) SMYD3ANO1GRM5NPC1RAB9A
SCHEMBL2241357 0.78 GRM5 (0.77) SMYD3GRM5
SCHEMBL31224301 0.78 SMYD3 (0.49) SMYD3GRM5NPC1RAB9A

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
CN-115594681-B Isoindoline-1, 3-dione derivative and application thereof 广州六顺生物科技有限公司 2024-06-18 CN disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2024-01-02 US disclosed
WO-2022023447-A2 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF JAZZ PHARMACEUTICALS IRELAND LIMITED (IE) 2022-02-03 WO disclosed
US-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF U.S. BANK TRUST COMPANY, NATIONAL ASSOCIATION, AS COLLATERAL TRUSTEE 2022-02-03 US disclosed
US-9309224-B2 N-acyl-N′-(pyridin-2-yl) ureas and analogs exhibiting anti-cancer and anti-proliferative activities DECIPHERA PHARMACEUTICALS, LLC. (US) 2016-04-12 US disclosed
US-20140275016-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 US disclosed
WO-2014145029-A2 N-ACYL-N'-(PYRIDIN-2-YL) UREAS AND ANALOGS EXHIBITING ANTI-CANCER AND ANTI-PROLIFERATIVE ACTIVITIES DECIPHERA PHARMACEUTICALS, LLC (US) 2014-09-18 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-20220033398-A1 FUSED BICYCLIC RAF INHIBITORS AND METHODS FOR USE THEREOF BRAF, RAF1, NRAS SMYD3 3211/4885ANO1 4728/4885GRM5 4437/4885
US-11858930-B2 Fused bicyclic RAF inhibitors and methods for use thereof BRAF, RAF1, NRAS SMYD3 3211/4885ANO1 4728/4885GRM5 4437/4885
US-20140275016-A1 N-Acyl-N'-(pyridin-2-yl) Ureas and Analogs Exhibiting Anti-Cancer and Anti-Proliferative Activities KIT, CSF1R, CSF3R SMYD3 1629/4885ANO1 1403/4885GRM5 3876/4885

“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.