SCHEMBL2639296

SCHEMBL2639296

CCN(CC)CCCC(C)Nc1nc(C)cc(Nc2ccc3nc(C)cc(N)c3c2)n1

nearest known ligand 0.98

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
RAC1 P63000 2/20 0.98
MAPT P10636 1/20 0.98
DOT1L Q8TEK3 6/20 0.61
TERT O14746 7/20 0.50
KCNH3 Q9ULD8 1/20 0.48
CACNA2D1 P54289 3/20 0.44
CCR4 P51679 1/20 0.43

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 SCHEMBL3511071 0.99 RAC1 (1.00) RAC1MAPTDOT1LTERTKCNH3
SCHEMBL13868216 0.90 RAC1 (0.81) RAC1MAPTDOT1LTERTKCNH3
SCHEMBL14825396 0.89 RAC1 (0.80) RAC1MAPTDOT1LTERT
SCHEMBL3389936 0.89 RAC1 (0.79) RAC1MAPTDOT1LKCNH3CACNA2D1
Ammonia Solution, Strong SCHEMBL3727545 0.82 RAC1 (0.69) RAC1MAPTKCNH3CACNA2D1CCR4
SCHEMBL3389537 0.81 RAC1 (0.68) RAC1MAPTTERTKCNH3CACNA2D1
SCHEMBL2639299 0.78 RAC1 (0.63) RAC1MAPTDOT1LTERTCCR4
Hydrochloric Acid SCHEMBL17022810 0.77 RAC1 (0.64) RAC1MAPTDOT1LTERTCCR4
SCHEMBL3392632 0.72 RAC1 (0.58) RAC1MAPTKCNH3CACNA2D1CCR4
SCHEMBL3725741 0.72 RAC1 (0.55) RAC1MAPTKCNH3CACNA2D1CCR4

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
JP-4691041-B2 2011-06-01 JP claimed
US-7612080-B2 GTPase inhibitors and use thereof for controlling platelet hyperactivity CINCINNATI CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-11-03 US claimed
US-7517890-B2 GTPase inhibitors and methods of use CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2009-04-14 US claimed
EP-1920048-A2 GTPASE INHIBITORS AND METHODS OF USE AND CRYSTAL STRUCTURE OF RAC-1 GTPASE Children's Hospital Medical Center (US) 2008-05-14 EP claimed
EP-1814553-A2 GTPASE INHIBITORS AND USE THEREOF FOR CONTROLLING PLATELET HYPERACTIVITY Children's Hospital Medical Center (US) 2007-08-08 EP claimed
WO-2007016539-A2 GTPASE INHIBITORS AND METHODS OF USE AND CRYSTAL STRUCTURE OF RAC-1 GTPASE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2007-02-08 WO claimed
EP-1691812-A1 GTPASE INHIBITORS AND METHODS OF USE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2006-08-23 EP claimed
US-20060135542-A1 GTPase inhibitors and use thereof for controlling platelet hyperactivity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-22 US claimed
WO-2006055833-A2 GTPASE INHIBITORS AND USE THEREOF FOR CONTROLLING PLATELET HYPERACTIVITY CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2006-05-26 WO claimed
US-20060004032-A1 GTPase inhibitors and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-01-05 US claimed
WO-2005051392-A1 GTPASE INHIBITORS AND METHODS OF USE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2005-06-09 WO claimed
US-20240307414-A1 METHODS AND MATERIALS FOR TREATING PROSTATE CANCER MAYO FOUNDATION FOR MEDICAL EDUCATION AND RESEARCH 2024-09-19 US disclosed
WO-2024091473-A1 TRIAZOLOPYRIDAZINE COMPOUNDS USEFUL AS RAC1 INHIBITORS REVERE PHARMACEUTICALS (US) 2024-05-02 WO disclosed
WO-2024018469-A1 A COMBINATION FOR TREATING A RETINAL DISEASE HADASIT MEDICAL RESEARCH SERVICES AND DEVELOPMENT LTD. (IL) 2024-01-25 WO disclosed
US-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS MASSACHUSETTS INSTITUTE OF TECHNOLOGY 2023-11-02 US disclosed
US-20060135542-A1 GTPase inhibitors and use thereof for controlling platelet hyperactivity NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-06-22 US disclosed
WO-2006055833-A2 GTPASE INHIBITORS AND USE THEREOF FOR CONTROLLING PLATELET HYPERACTIVITY CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2006-05-26 WO disclosed
US-20060004032-A1 GTPase inhibitors and methods of use NATIONAL INSTITUTES OF HEALTH (NIH), U.S. DEPT. OF HEALTH AND HUMAN SERVICES (DHHS), U.S. GOVERNMENT 2006-01-05 US disclosed
WO-2005051392-A1 GTPASE INHIBITORS AND METHODS OF USE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2005-06-09 WO disclosed
WO-2005051392-A1 GTPASE INHIBITORS AND METHODS OF USE CHILDREN'S HOSPITAL MEDICAL CENTER (US) 2005-06-09 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 (3 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-20230346879-A1 COMPOSITIONS AND METHODS FOR COMBINATORIAL DRUG DISCOVERY IN NANOLITER DROPLETS RAB5IF, CLTB, TBK1 RAC1 320/4885MAPT 1926/4885DOT1L 3360/4885
US-20060135542-A1 GTPase inhibitors and use thereof for controlling platelet hyperactivity ARHGDIB, ARHGEF2, RAC1 RAC1 3/4885MAPT 3929/4885DOT1L 2731/4885
US-20060004032-A1 GTPase inhibitors and methods of use RAC1, RAC2, ARHGDIB RAC1 1/4885MAPT 2697/4885DOT1L 1335/4885

“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.