SCHEMBL7262019

SCHEMBL7262019

Cc1cnc(Cl)nc1NCC1CCCO1

nearest known ligand 0.50

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
HPGD P15428 4/20 0.50
ALDH1A1 P00352 3/20 0.50
HSD17B10 Q99714 2/20 0.50
ALOX15 P16050 1/20 0.50
SMN1; SMN2 Q16637 4/20 0.48
HTT P42858 2/20 0.48
TNK2 Q07912 9/20 0.47
CHEK1 O14757 1/20 0.47
JAK2 O60674 1/20 0.47
ABL1 P00519 1/20 0.47
LCK P06239 1/20 0.47
ROS1 P08922 1/20 0.47
FGFR1 P11362 1/20 0.47
SRC P12931 1/20 0.47
TYK2 P29597 1/20 0.47
ALK Q9UM73 1/20 0.47
LMNA P02545 4/20 0.47
KDM4E B2RXH2 3/20 0.47
MEN1 O00255 1/20 0.47
NPC1 O15118 1/20 0.47

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
SCHEMBL21460565 1.00 HPGD (0.50) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL21478068 1.00 HPGD (0.50) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL16445963 0.88 TNK2 (0.58) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL16446197 0.88 TNK2 (0.58) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL16445965 0.88 TNK2 (0.58) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL16446172 0.85 KMT2A (0.53) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL16453389 0.85 TNK2 (0.60) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL18488972 0.84 TNK2 (0.54) HPGDALDH1A1HSD17B10SMN1; SMN2TNK2
SCHEMBL23620371 0.81 HCAR3 (0.53) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2
SCHEMBL23620370 0.81 ALDH1A1 (0.58) HPGDALDH1A1HSD17B10ALOX15SMN1; SMN2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-06-16 US disclosed
US-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2020-06-16 US disclosed
WO-2019198940-A1 EXCELLENT KINASE INHIBITORY ACTIVITY-EXHIBITING PYRIMIDINE DERIVATIVE HAVING VARIOUS SUBSTITUENTS 한국과학기술연구원 2019-10-17 WO disclosed
US-20190315726-A1 MULTI-SUBSTITUTED PYRIMIDINE DERIVATIVES WITH EXCELLENT KINASE INHIBITORY ACTIVITIES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-17 US disclosed
US-20190315726-A1 MULTI-SUBSTITUTED PYRIMIDINE DERIVATIVES WITH EXCELLENT KINASE INHIBITORY ACTIVITIES KOREA INSTITUTE OF SCIENCE AND TECHNOLOGY (KR) 2019-10-17 US disclosed
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2018-07-10 US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 US disclosed
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. 2018-06-07 US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 US disclosed
US-9850216-B2 Inhibitors of ACK1/TNK2 tyrosine kinase H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2017-12-26 US disclosed
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 US disclosed
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2016-06-23 US disclosed
EP-3030241-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. Lee Moffitt Cancer Center And Research Institute, Inc. (US) 2016-06-15 EP disclosed
WO-2015021149-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-02-12 WO disclosed
WO-2015021149-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE H. LEE MOFFITT CANCER CENTER AND RESEARCH INSTITUTE, INC. (US) 2015-02-12 WO disclosed
WO-2003040141-A1 OXAZOLYL-PHENYL-2,4-DIAMINO-PYRIMIDINE COMPOUNDS AND METHODS FOR TREATING HYPERPROLIFERATIVE DISORDERS BAYER PHARMACEUTICALS CORPORATION (US) 2003-05-15 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 (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-10683282-B2 Multi-substituted pyrimidine derivatives with excellent kinase inhibitory activities JAK1, NUAK1, JAK2 HPGD 3649/4885ALDH1A1 4059/4885HSD17B10 3446/4885
US-20160176826-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 HPGD 2051/4885ALDH1A1 3704/4885HSD17B10 1899/4885
US-10017478-B2 Inhibitors of ACK1/TNK2 tyrosine kinase TNK1, TNNI3K, TNK2 HPGD 2051/4885ALDH1A1 3704/4885HSD17B10 1899/4885
US-20180155297-A1 INHIBITORS OF ACK1/TNK2 TYROSINE KINASE TNK1, TNNI3K, TNK2 HPGD 2051/4885ALDH1A1 3704/4885HSD17B10 1899/4885
US-20190315726-A1 MULTI-SUBSTITUTED PYRIMIDINE DERIVATIVES WITH EXCELLENT KINASE INHIBITORY ACTIVITIES JAK1, NUAK1, JAK2 HPGD 3649/4885ALDH1A1 4059/4885HSD17B10 3446/4885

“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.