SCHEMBL18357966

SCHEMBL18357966

Cc1cnc2[nH]nc(C)c2n1

nearest known ligand 0.36

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PDK2 Q15119 1/20 0.36
▸ PDK4 Q16654 1/20 0.36
▸ PDPK1 O15530 1/20 0.35
▸ MAPK1 P28482 1/20 0.35
▸ ALDH1A1 P00352 1/20 0.32
▸ HPGD P15428 1/20 0.32
▸ SMN1; SMN2 Q16637 1/20 0.32
▸ TSHR P16473 1/20 0.32
▸ KDM4E B2RXH2 1/20 0.31
▸ GAA P10253 1/20 0.31
▸ CCNB2 O95067 1/20 0.31
▸ CDK1 P06493 1/20 0.31
▸ CCNB1 P14635 1/20 0.31
▸ CDK5 Q00535 1/20 0.31
▸ CDK5R1 Q15078 1/20 0.31
▸ CCNB3 Q8WWL7 1/20 0.31
▸ ADRA2A P08913 1/20 0.31
▸ ADRA2B P18089 1/20 0.31
▸ ADRA2C P18825 1/20 0.31
▸ ADRA1D P25100 1/20 0.31

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
SCHEMBL24121832 0.83 PDPK1 (0.35) PDK2PDK4PDPK1MAPK1TSHR
SCHEMBL3954043 0.80 MAPK1 (0.44) PDPK1MAPK1CDK5DYRK1A
SCHEMBL16946863 0.80 DYRK1A (0.37) PDK2PDK4PDPK1ALDH1A1HPGD
SCHEMBL20247408 0.80 MAPK1 (0.33) PDPK1MAPK1
SCHEMBL19260963 0.78 JAK2 (0.43) PDK2PDK4MAPK1
SCHEMBL23962575 0.77 KDM4E (0.39) PDPK1MAPK1ALDH1A1HPGDKDM4E
SCHEMBL30529350 0.76 PDK2 (0.33) PDK2PDK4CDK1CDK5DYRK1A
SCHEMBL3950985 0.76 PDPK1 (0.38) PDPK1MAPK1CCNB2CDK1CCNB1
Hydrochloric Acid SCHEMBL30529615 0.71 YTHDC1 (0.41) MAPK1ALDH1A1HPGDSMN1; SMN2KDM4E
SCHEMBL23047217 0.71 PDK2 (0.43) PDK2PDK4MAPK1ALDH1A1HPGD

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-3317285-B1 CHIRAL DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TURNING POINT THERAPEUTICS INC (US) 2021-01-27 — — EP disclosed
EP-3636649-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
EP-3636650-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. (US) 2020-04-15 — — EP disclosed
US-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors MEDSHINE DISCOVERY INC. (CN) 2019-12-31 — — US disclosed
EP-3097107-B1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS INC (US) 2019-04-17 — — EP disclosed
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS Harbin Zhenbao Pharmaceutical Co., Ltd. (CN) 2018-08-09 — — US disclosed
US-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES Turning Point Therapeutics, Inc. 2017-11-23 — — US disclosed
WO-2017133667-A1 PYRIMIDINE AND PYRIDINE DERIVATIVES AND USE IN TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA THEREOF SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 — — WO disclosed
WO-2017133658-A1 4, 7-DIAZAINDOLE AND 4, 7-DIAZAINDAZOLE DERIVATIVES AND THEIR USE IN THE TREATMENT, AMELIORATION OR PREVENTION OF INFLUENZA SAVIRA PHARMACEUTICALS GMBH (AT) 2017-08-10 — — WO disclosed
US-9714258-B2 Diaryl macrocycles as modulators of protein kinases TP THERAPEUTICS, INC. (US) 2017-07-25 — — US disclosed
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES TP THERAPEUTICS, INC. (US) 2017-01-05 — — 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 (4 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-20170334929-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 PDK2 562/4885PDK4 842/4885PDPK1 78/4885
US-10519133-B2 Vinyl compounds as FGFR and VEGFR inhibitors FGFR1, FLT1, KDR PDK2 627/4885PDK4 920/4885PDPK1 196/4885
US-20170002023-A1 DIARYL MACROCYCLES AS MODULATORS OF PROTEIN KINASES MAP3K20, LCK, MAP3K1 PDK2 562/4885PDK4 842/4885PDPK1 78/4885
US-20180222886-A1 VINYL COMPOUNDS AS FGFR AND VEGFR INHIBITORS FGFR1, FLT1, KDR PDK2 627/4885PDK4 920/4885PDPK1 196/4885

“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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