SCHEMBL13734403

SCHEMBL13734403

CN(C(N)=O)c1ccc(N)cc1

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ALDH1A1 P00352 4/20 0.52
CYP3A4 P08684 4/20 0.52
TDP1 Q9NUW8 3/20 0.52
MAPK1 P28482 2/20 0.52
TP53 P04637 1/20 0.52
ALOX15 P16050 1/20 0.52
L3MBTL1 Q9Y468 2/20 0.41
PSMD14 O00487 1/20 0.41
TSHR P16473 1/20 0.41
RECQL P46063 1/20 0.41
GFER P55789 1/20 0.41
PPIB P23284 2/20 0.40
MAPT P10636 5/20 0.38
CYP1A2 P05177 2/20 0.38
KDM4E B2RXH2 1/20 0.38
CYP2D6 P10635 1/20 0.38
CYP2C9 P11712 1/20 0.38
CYP2C19 P33261 1/20 0.38
PHLPP2 Q6ZVD8 1/20 0.38
RAB9A P51151 2/20 0.37

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
SCHEMBL12550500 0.84 ALDH1A1 (0.54) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL27500745 0.82 PEPD (0.45) ALDH1A1CYP3A4TP53ALOX15L3MBTL1
SCHEMBL16937417 0.82 ALDH1A1 (0.50) ALDH1A1TSHRMAPTKDM4ERAB9A
SCHEMBL381901 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL78351 0.82 ALDH1A1 (0.52) ALDH1A1CYP3A4TDP1MAPK1TP53
SCHEMBL18311982 0.80 ALDH1A1 (0.47) ALDH1A1TDP1ALOX15L3MBTL1TSHR
SCHEMBL4589533 0.80 ALDH1A1 (0.47) ALDH1A1MAPTCYP1A2CYP2C19KMT2A
SCHEMBL3997515 0.80 ALOX5 (0.47) ALDH1A1TDP1L3MBTL1RECQLMAPT
SCHEMBL8686665 0.80 PARP10 (0.47) ALDH1A1CYP3A4TDP1L3MBTL1TSHR
SCHEMBL1630634 0.79 KMT2A (0.50) L3MBTL1KDM4ERAB9AMEN1KMT2A

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 50 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-12264169-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners (US) 2025-04-01 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-11-02 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-11767334-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2023-09-26 US disclosed
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2023-01-26 US disclosed
EP-3842420-B1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS LLC (US) 2022-12-07 EP disclosed
US-11401286-B2 Heteroaryl inhibitors of PDE4 Tetra Discovery Partners, LLC (US) 2022-08-02 US disclosed
EP-3842420-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners LLC (US) 2021-06-30 EP disclosed
US-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2020-11-12 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 Tetra Discovery Partners, LLC 2015-04-30 US disclosed
WO-2014066659-A9 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS, LLC. (US) 2015-02-12 WO disclosed
WO-2014066659-A1 HETEROARYL INHIBITORS OF PDE4 TETRA DISCOVERY PARTNERS, LLC. (US) 2014-05-01 WO disclosed
WO-2014060112-A1 PYRAZOLO[4,3-D]PYRIMIDINES AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
WO-2014060113-A1 NOVEL KINASE INHIBITORS ORIGENIS GMBH (DE) 2014-04-24 WO disclosed
EP-2699579-A1 PYRAZOLO [4, 3-D]PYRIMIDINES USEFUL AS KINASE INHIBITORS Origenis GmbH (DE) 2014-02-26 EP disclosed
US-20120329785-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
US-20120329780-A1 Novel kinase inhibitors ORIGENIS GMBH (DE) 2012-12-27 US disclosed
WO-2012143144-A1 PYRAZOLO [4, 3-D] PYRIMIDINES USEFUL AS KINASE INHIBITORS ORIGENIS GMBH (DE) 2012-10-26 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 (9 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-20200354384-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885TDP1 359/4885
US-20230024240-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885TDP1 359/4885
US-20150119362-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 751/4885CYP3A4 209/4885TDP1 139/4885
US-11401286-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885TDP1 359/4885
US-20230348501-A1 HETEROARYL INHIBITORS OF PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885TDP1 359/4885
US-11767334-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885TDP1 359/4885
US-20120329780-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK ALDH1A1 4333/4885CYP3A4 4198/4885TDP1 1953/4885
US-12264169-B2 Heteroaryl inhibitors of PDE4 PDE4A, PDE4B, PDE4C ALDH1A1 1152/4885CYP3A4 248/4885TDP1 359/4885
US-20120329785-A1 Novel kinase inhibitors LRRK2, MYLK2, MYLK3 ALDH1A1 4394/4885CYP3A4 4807/4885TDP1 725/4885

“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.