Sugi Predict

Sugi Predict / Compounds / SCHEMBL13436293

SCHEMBL13436293

SCHEMBL13436293

Cc1cn(-c2cc(NC(=O)c3cnc(C)c(-n4cc(-c5cncnc5)nn4)c3)cc(C(F)(F)F)c2)cn1

nearest known ligand 0.64

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ ABL1 P00519 10/20 0.64
▸ BCR P11274 7/20 0.64
▸ NR2E1 Q9Y466 3/20 0.56
▸ DDR1 Q08345 9/20 0.54
▸ DDR2 Q16832 6/20 0.54
▸ NTRK3 Q16288 5/20 0.54
▸ NTRK2 Q16620 4/20 0.54
▸ NTRK1 P04629 3/20 0.54
▸ PDGFRB P09619 2/20 0.53
▸ KIT P10721 2/20 0.53
▸ EPHA8 P29322 2/20 0.52
▸ HCK P08631 2/20 0.52
▸ MUSK O15146 1/20 0.52
▸ CDK11B P21127 1/20 0.52
▸ CDK11A Q9UQ88 1/20 0.52
▸ EPHB6 O15197 1/20 0.52
▸ CA12 O43570 1/20 0.52
▸ CACNA1F O60840 1/20 0.52
▸ SLC22A3 O75751 1/20 0.52
▸ STK10 O94804 1/20 0.52

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
SCHEMBL12398474 0.90 ABL1 (0.78) ABL1BCRNR2E1DDR1DDR2
SCHEMBL13436167 0.85 BRAF (0.55) ABL1BCRDDR1DDR2HCK
SCHEMBL13436655 0.80 BRAF (0.50) ABL1BCRDDR1DDR2KIT
SCHEMBL12398336 0.80 ABL1 (0.76) ABL1BCRNR2E1DDR1DDR2
SCHEMBL2356571 0.78 BRAF (0.65) BRAF
SCHEMBL15943702 0.77 BRAF (0.59) ABL1BCRRAF1BRAF
SCHEMBL12397930 0.76 ABL1 (0.71) ABL1BCRNR2E1DDR1DDR2
SCHEMBL15869561 0.76 BRAF (0.55) ABL1BCRHCKBRAFNR2C2
SCHEMBL13436561 0.76 ABL1 (0.48) ABL1BCRBRAF
SCHEMBL12398117 0.76 ABL1 (0.70) ABL1BCRNR2E1DDR1DDR2

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
EP-2350052-B1 ANTIPROLIFERATIVE COMPOUNDS BOEHRINGER INGELHEIM INT (DE) 2014-08-13 — — EP claimed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 — — US claimed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US claimed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 — — US disclosed
US-8778929-B2 Substituted heteroaryl inhibitors of B-RAF BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2014-07-15 — — US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
US-20110312939-A1 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2011-12-22 — — US disclosed
WO-2010034838-A2 NEW CHEMICAL COMPOUNDS BOEHRINGER INGELHEIM INTERNATIONAL GMBH (DE) 2010-04-01 — — 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 (1 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-20110312939-A1 NEW CHEMICAL COMPOUNDS CCNA1, CCNT1, MKI67 ABL1 234/4885BCR 641/4885NR2E1 344/4885

“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.