SCHEMBL3662937

SCHEMBL3662937

CCCCCNc1ccncn1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
DNM2 P50570 4/20 0.50
SMN1; SMN2 Q16637 3/20 0.50
CYP2D6 P10635 2/20 0.50
TLR8 Q9NR97 1/20 0.50
CYP1A2 P05177 1/20 0.50
CYP3A4 P08684 1/20 0.50
CYP2C9 P11712 1/20 0.50
CYP2C19 P33261 1/20 0.50
HTT P42858 1/20 0.50
HCAR3 P49019 2/20 0.49
HRH4 Q9H3N8 1/20 0.43
S1PR2 O95136 1/20 0.42
LMNA P02545 1/20 0.42
NPSR1 Q6W5P4 1/20 0.42
HTR1A P08908 1/20 0.41
HTR1D P28221 1/20 0.41
NAAA Q02083 1/20 0.41
LATS1 O95835 1/20 0.40
LATS2 Q9NRM7 1/20 0.40
CDC7 O00311 1/20 0.39

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
Hydrochloric Acid SCHEMBL8521658 0.98 SMN1; SMN2 (0.52) DNM2SMN1; SMN2CYP2D6TLR8CYP1A2
SCHEMBL30593302 0.95 TLR8 (0.56) DNM2SMN1; SMN2CYP2D6TLR8CYP1A2
SCHEMBL2638413 0.95 TLR8 (0.56) DNM2SMN1; SMN2CYP2D6TLR8CYP1A2
SCHEMBL15923123 0.89 SMN1; SMN2 (0.46) DNM2SMN1; SMN2CYP2D6TLR8CYP1A2
SCHEMBL30195099 0.87 SMN1; SMN2 (0.54) DNM2SMN1; SMN2CYP2D6TLR8CYP1A2
SCHEMBL5554310 0.87 SMN1; SMN2 (0.54) DNM2SMN1; SMN2CYP2D6TLR8CYP1A2
SCHEMBL235705 0.82 NUDT1 (0.50) SMN1; SMN2CYP2D6TLR8CYP1A2CYP3A4
SCHEMBL210080 0.81 NUDT1 (0.49) DNM2SMN1; SMN2CYP2D6CYP1A2CYP3A4
SCHEMBL18906038 0.80 NUDT1 (0.56) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9
SCHEMBL30775333 0.80 NUDT1 (0.56) SMN1; SMN2CYP2D6CYP1A2CYP3A4CYP2C9

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0954315-A2 USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS Sugen, Inc. (US) 1999-11-10 EP claimed
WO-1998010767-A9 USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS 1998-07-02 WO claimed
WO-1998010767-A2 USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS SUGEN, INC. (US) 1998-03-19 WO claimed
CN-114644596-B Fluoropyrimidine aromatic amine compound and application thereof 青岛科技大学 2024-01-30 CN disclosed
CN-114644596-A Fluorine-containing pyrimidine arylamine compound and application thereof 青岛科技大学 2022-06-21 CN disclosed
CN-114605335-A Pyrimidine thioether amine ester pesticide 青岛科技大学 2022-06-10 CN disclosed
EP-3590928-B1 PYRIMIDINE DERIVATIVES FOR THE TREATMENT OF VIRAL INFECTIONS JANSSEN SCIENCES IRELAND UNLIMITED CO (IE) 2021-06-09 EP disclosed
US-10966985-B2 Macrocyclic compounds as ROS1 kinase inhibitors ARRAY BIOPHARMA INC. (US) 2021-04-06 US disclosed
US-10688100-B2 Macrocylic compounds as ROS1 kinase inhibitors ARRAY BIOPHARMA INC. (US) 2020-06-23 US disclosed
CN-110769820-A Macrocyclic compounds as ROS1 kinase inhibitors 阿雷生物药品公司 2020-02-07 CN disclosed
US-20190151322-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ARRAY BIOPHARMA INC. 2019-05-23 US disclosed
EP-1418916-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER Amgen Inc. (US) 2004-05-19 EP disclosed
US-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2004-04-01 US disclosed
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use AMGEN INC. 2003-07-03 US disclosed
WO-2003018022-A1 2-AMINO-4-HETEROARYLAMINOPYRIMIDINE DERIVATIVES FOR USE IN THE TREATMENT OF CANCER AMGEN INC. (US) 2003-03-06 WO disclosed
WO-2003018021-A1 2,4-DISUBSTITUTED PYRIMIDINYL DERIVATIVES FOR USE AS ANTICANCER AGENTS AMGEN INC. (US) 2003-03-06 WO disclosed
EP-0954315-A2 USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS Sugen, Inc. (US) 1999-11-10 EP disclosed
WO-1998010767-A9 USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS 1998-07-02 WO disclosed
WO-1998010767-A2 USE OF QUINAZOLINE DERIVATIVES FOR THE MANUFACTURE OF A MEDICAMENT IN THE TREATMENT OF HYPERPROLIFERATIVE SKIN DISORDERS SUGEN, INC. (US) 1998-03-19 WO disclosed
US-4285946-A ANOREXIGENIC AGENTS; TREATING DISTURBANCES OF THE METABOLISM OF LIPIDS HOECHST AKTIENGESELLSCHAFT (DE) 1981-08-25 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 (5 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-20040063705-A1 Substituted pyrimidinyl derivatives and methods of use DPYD, TYMP, TPMT DNM2 3952/4885SMN1; SMN2 1697/4885CYP2D6 23/4885
US-20030125346-A1 Amino-substituted pyrimidinyl derivatives and methods of use TYMP, DPYD, TPMT DNM2 3483/4885SMN1; SMN2 2334/4885CYP2D6 50/4885
US-10966985-B2 Macrocyclic compounds as ROS1 kinase inhibitors ROS1, MAP3K1, MAP3K19 DNM2 1271/4885SMN1; SMN2 3781/4885CYP2D6 3539/4885
US-10688100-B2 Macrocylic compounds as ROS1 kinase inhibitors ROS1, MAP3K1, MAP3K11 DNM2 1652/4885SMN1; SMN2 4051/4885CYP2D6 3340/4885
US-20190151322-A1 MACROCYCLIC COMPOUNDS AS ROS1 KINASE INHIBITORS ROS1, MAP3K1, MAP3K19 DNM2 1271/4885SMN1; SMN2 3781/4885CYP2D6 3539/4885

“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.