SCHEMBL9329335

SCHEMBL9329335

Cc1cnc(C)c(C)c1Cl

nearest known ligand 0.41

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
AXL P30530 1/20 0.41
PRKCI P41743 1/20 0.41
CCR1 P32246 1/20 0.36
CCR5 P51681 1/20 0.36
CCR8 P51685 1/20 0.36
HSP90AA1 P07900 2/20 0.33
HSP90AB1 P08238 1/20 0.33
ALDH1A1 P00352 2/20 0.32
NOS3 P29474 2/20 0.32
NOS2 P35228 2/20 0.32
NOS1 P29475 1/20 0.32
PLAU P00749 1/20 0.31
GAA P10253 1/20 0.31
MAPT P10636 1/20 0.31

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
SCHEMBL31096826 1.00 AXL (0.41) AXLPRKCICCR1CCR5CCR8
Hydrochloric Acid SCHEMBL10639856 0.97 AXL (0.39) AXLPRKCICCR1CCR5CCR8
SCHEMBL9455975 0.81 AXL (0.42) AXLPRKCICCR1CCR5CCR8
SCHEMBL23743789 0.79 CCR1 (0.41) AXLPRKCICCR1CCR5CCR8
SCHEMBL28874208 0.79 PLAU (0.44) PLAU
SCHEMBL24528250 0.75
SCHEMBL9455811 0.75
SCHEMBL874915 0.75 CCR1 (0.46) CCR1CCR5CCR8NOS3NOS2
SCHEMBL20285921 0.73 LMNA (0.32)
Water SCHEMBL28540792 0.72 CCR1 (0.44) CCR1CCR5CCR8NOS3NOS2

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0226558-B1 Chemical intermediates and methods for their preparation HAESSLE AB (SE) 1994-04-06 EP claimed
EP-0226558-A2 Chemical intermediates and methods for their preparation Aktiebolaget Hässle (SE) 1987-06-24 EP claimed
EP-3801484-A1 BIO-BASED MEDICINES AND METHODS OF INCREASING PATIENT COMPLIANCE Anellotech, Inc. (US) 2021-04-14 EP disclosed
US-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF Bio TheryX, Inc. 2018-06-21 US disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity CONFORMA THERAPEUTICS CORPORATION (US) 2007-08-09 US disclosed
EP-0226558-B1 Chemical intermediates and methods for their preparation HAESSLE AB (SE) 1994-04-06 EP disclosed
EP-0484265-A1 A process for the preparation of omeprazol CENTRO GENESIS PARA LA INVESTIGACION, S.L. (ES) 1992-05-06 EP disclosed
US-4785113-A 2,4-dichloro-3,5,6-trimethylpyridine AKTIEBOLAGET HASSLE (SE) 1988-11-15 US disclosed
EP-0226558-A2 Chemical intermediates and methods for their preparation Aktiebolaget Hässle (SE) 1987-06-24 EP 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 (2 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-20180170948-A1 COMPOUNDS TARGETING PROTEINS, COMPOSITIONS, METHODS, AND USES THEREOF CKS1B, IKZF3, EPAS1 AXL 651/4885PRKCI 192/4885CCR1 233/4885
US-20070185064-A1 2-Aminopurine Analogs Having HSP90-Inhibiting Activity HSP90AB2P, HSP90AB1, HSP90AA1 AXL 4732/4885PRKCI 2672/4885CCR1 4568/4885

“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.