SCHEMBL578489

SCHEMBL578489

CC(C)N1CCN(c2ccc(I)cc2)CC1

nearest known ligand 0.67

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
KDM4E B2RXH2 1/20 0.67
ALDH1A1 P00352 1/20 0.67
MAPT P10636 1/20 0.67
PKM P14618 1/20 0.67
HRH3 Q9Y5N1 2/20 0.48
AKR1C3 P42330 1/20 0.45
HDAC4 P56524 1/20 0.43
LTA4H P09960 1/20 0.43
KHK P50053 1/20 0.41
ALK Q9UM73 2/20 0.41
ESRRB O95718 5/20 0.40
ESRRG P62508 5/20 0.40
KCNH2 Q12809 2/20 0.40
ESR1 P03372 2/20 0.40
TGFBR1 P36897 1/20 0.40
ACVR1 Q04771 1/20 0.40
FYN P06241 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
SCHEMBL14345952 0.82 AKR1C3 (0.57) KDM4EALDH1A1MAPTPKMAKR1C3
SCHEMBL81911 0.82 MAPT (0.69) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL20074141 0.82 KDM4E (0.69) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL12582119 0.80 MAPT (0.67) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL10169302 0.80 MAPT (0.67) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL188924 0.80 MAPT (0.67) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL13898896 0.80 KDM4E (0.67) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL2543118 0.80 KDM4E (0.67) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL3146325 0.80 KDM4E (1.00) KDM4EALDH1A1MAPTPKMHRH3
SCHEMBL1099464 0.79 KDM4E (0.66) KDM4EALDH1A1MAPTPKMHRH3

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2022124748-A1 PYRAZOLOPYRIMIDINE SULFONAMIDE DERIVATIVE AND PHARMACEUTICAL COMPOSITION FOR PROPHYLAXIS OR TREATMENT OF CANCER-RELATED DISEASE COMPRISING SAME AS ACTIVE INGREDIENT 한국화학연구원 2022-06-16 WO disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-RE47731-E1 Kinase inhibitors and method of treating cancer with same UNIV HEALTH NETWORK (CA) 2019-11-19 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-10358436-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2019-07-23 US disclosed
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORK (CA) 2018-10-04 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
US-9907800-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2018-03-06 US disclosed
EP-2556071-B1 KINASE INHIBITORS AND THEIR USE IN TREATING CANCER UNIV HEALTH NETWORK (CA) 2016-08-17 EP disclosed
US-8263596-B2 Kinase inhibitors and method of treating cancer UNIVERSITY HEALTH NETWORK (CA) 2012-09-11 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
US-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORKS (CA) 2012-06-14 US disclosed
EP-2417127-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME University Health Network (CA) 2012-02-15 EP disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER UNIVERSITY HEALTH NETWORKS (CA) 2011-10-27 US disclosed
WO-2011123946-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2011-10-13 WO disclosed
WO-2010115279-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME UNIVERSITY HEALTH NETWORK (CA) 2010-10-14 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 (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-20120149686-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER WITH SAME MAP3K5, MAP3K6, MAP3K1 KDM4E 783/4885ALDH1A1 2633/4885MAPT 1467/4885
US-20110263598-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 KDM4E 883/4885ALDH1A1 2389/4885MAPT 2002/4885
US-10358436-B2 Kinase inhibitors and method of treating cancer MAP3K6, MAP3K5, MAP3K19 KDM4E 883/4885ALDH1A1 2389/4885MAPT 2002/4885
US-20180282306-A1 KINASE INHIBITORS AND METHOD OF TREATING CANCER MAP3K6, MAP3K5, MAP3K19 KDM4E 883/4885ALDH1A1 2389/4885MAPT 2002/4885

“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.