SCHEMBL6945041

SCHEMBL6945041

CCC1CN(c2ccc(-c3ccnc(Nc4cc(OC)c(OC)c(OC)c4)n3)cn2)CCN1

nearest known ligand 1.00 ✓ in ChEMBL — recovers established targets

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
ZAP70 P43403 13/20 1.00
PRKD3 O94806 4/20 1.00
PRKCG P05129 4/20 1.00
PRKCB P05771 4/20 1.00
LCK P06239 4/20 1.00
PRKCA P17252 4/20 1.00
PRKCH P24723 4/20 1.00
PRKCI P41743 4/20 1.00
PRKCE Q02156 4/20 1.00
PRKCQ Q04759 4/20 1.00
PRKCZ Q05513 4/20 1.00
PRKCD Q05655 4/20 1.00
PRKD1 Q15139 4/20 1.00
EGFR P00533 3/20 0.74
IKBKB O14920 1/20 0.53
CHUK O15111 1/20 0.53
CDK2 P24941 2/20 0.51
JAK2 O60674 1/20 0.51
PIK3CA P42336 1/20 0.51
PIK3CB P42338 1/20 0.51

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
SCHEMBL6945045 1.00 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL21107541 0.95 ZAP70 (0.91) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL22909026 0.95 ZAP70 (0.90) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6951384 0.93 ZAP70 (0.88) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL24508301 0.93 ZAP70 (0.87) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL21106674 0.93 ZAP70 (0.87) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL21107542 0.92 ZAP70 (0.84) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL7260761 0.91 ZAP70 (0.84) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6957175 0.91 ZAP70 (0.84) ZAP70PRKD3PRKCGPRKCBLCK
SCHEMBL6953643 0.90 ZAP70 (1.00) ZAP70PRKD3PRKCGPRKCBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-6552029-B1 For therapy of rheumatoid arthritis, psoriasis, graft v. host disease, asthma, atopic dermatitis, allergic rhinitis, allergic conjunctivitis, complications following percutaneous transluminal coronary angioplasty, thrombosis CELLTECH R&D LIMITED (GB) 2003-04-22 US claimed
US-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 US claimed
US-20220356185-A1 MERTK DEGRADERS AND USES THEREOF KYMERA THERAPEUTICS, INC. 2022-11-10 US disclosed
US-6552029-B1 For therapy of rheumatoid arthritis, psoriasis, graft v. host disease, asthma, atopic dermatitis, allergic rhinitis, allergic conjunctivitis, complications following percutaneous transluminal coronary angioplasty, thrombosis CELLTECH R&D LIMITED (GB) 2003-04-22 US disclosed
EP-0934304-B1 2-PYRIMIDINEAMINE DERIVATIVES AND PROCESSES FOR THEIR PREPARATION CELLTECH THERAPEUTICS LTD (GB) 2003-02-26 EP disclosed
US-6114333-A 2-Pyrimidineamine derivatives and processes for their preparation CELLTECH THERAPEUTICS LTD. (GB) 2000-09-05 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 (1 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-20220356185-A1 MERTK DEGRADERS AND USES THEREOF MERTK, ITK, CRKL ZAP70 441/4885PRKD3 3458/4885PRKCG 3564/4885

“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.