SCHEMBL10245417

SCHEMBL10245417

NCCNc1ccc(-c2ccnc(Nc3ccc(N4CCNCC4)cc3)n2)cn1

nearest known ligand 0.56

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
PRKD3 O94806 2/20 0.56
EGFR P00533 1/20 0.56
PRKCG P05129 1/20 0.56
PRKCB P05771 1/20 0.56
LCK P06239 1/20 0.56
PRKCA P17252 1/20 0.56
PRKCH P24723 1/20 0.56
PRKCI P41743 1/20 0.56
ZAP70 P43403 1/20 0.56
PRKCE Q02156 1/20 0.56
PRKCQ Q04759 1/20 0.56
PRKCZ Q05513 1/20 0.56
PRKCD Q05655 1/20 0.56
PRKD1 Q15139 1/20 0.56
STK17A Q9UEE5 4/20 0.55
STK17B O94768 1/20 0.55
MYLK4 Q86YV6 2/20 0.55
KCNH2 Q12809 2/20 0.52
CDK2 P24941 3/20 0.52
CDK7 P50613 2/20 0.52

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
SCHEMBL659614 0.89 JAK2 (0.61) PRKD3EGFRPRKCGPRKCBLCK
Hydrochloric Acid SCHEMBL660445 0.88 JAK2 (0.60) PRKD3EGFRPRKCGPRKCBLCK
SCHEMBL10246812 0.85 CDK2 (0.58) PRKD3EGFRPRKCGPRKCBLCK
SCHEMBL14755163 0.85 EGFR (0.54) PRKD3EGFRPRKCGPRKCBLCK
SCHEMBL10192761 0.83 JAK2 (0.59) PRKD3EGFRPRKCGPRKCBLCK
SCHEMBL19847158 0.81 PRKD3 (0.54) PRKD3EGFRPRKCGPRKCBLCK
SCHEMBL10245770 0.80 JAK2 (0.62) EGFRSTK17ACDK2JAK2ACVR1
SCHEMBL8239814 0.80 PLK4 (0.68) PRKD3STK17AMYLK4KCNH2CDK2
SCHEMBL10246683 0.79 JAK2 (0.61) EGFRSTK17ACDK2JAK2ACVR1
SCHEMBL10245501 0.78 PRKD3 (0.57) PRKD3EGFRPRKCGPRKCBLCK

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

PatentTitleAssigneePublishedPriorityFilingCountryStatus
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS HOLDINGS INC (US) 2014-12-11 US disclosed
US-8674095-B2 Compounds for treating neuropsychiatric conditions AFRAXIS HOLDINGS, INC. (US) 2014-03-18 US disclosed
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS AFRAXIS, INC. (US) 2013-08-29 US disclosed
US-20130096115-A1 METHODS FOR TREATING AUTISM AFRAXIS, INC. (US) 2013-04-18 US disclosed
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT AFRAXIS, INC. (US) 2013-03-07 US disclosed
US-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2012-10-25 US disclosed
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA AFRAXIS, INC. (US) 2012-07-19 US disclosed
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS AFRAXIS INC. (US) 2012-02-23 US disclosed
WO-2011044537-A2 METHODS FOR TREATING ALZHEIMER'S DISEASE AFRAXIS, INC. (US) 2011-04-14 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 (7 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-20120270844-A1 METHODS FOR TREATING ALZHEIMER'S DISEASE PSEN2, MAPT, PSEN1 PRKD3 514/4885EGFR 3291/4885PRKCG 87/4885
US-20140364430-A1 METHODS FOR TREATING SCHIZOPHRENIA GRIN2A, GRIN2C, GRIN3A PRKD3 663/4885EGFR 3598/4885PRKCG 232/4885
US-20130096115-A1 METHODS FOR TREATING AUTISM PAK2, PAK3, PAK4 PRKD3 1170/4885EGFR 4263/4885PRKCG 230/4885
US-20120046283-A1 COMPOUNDS FOR TREATING NEUROPSYCHIATRIC CONDITIONS PAK2, PAK5, PAK6 PRKD3 455/4885EGFR 4252/4885PRKCG 547/4885
US-20120184547-A1 METHODS FOR TREATING SCHIZOPHRENIA PAK2, PAK3, PAK4 PRKD3 632/4885EGFR 3833/4885PRKCG 144/4885
US-20130225575-A1 METHODS FOR TREATING NEUROLOGICAL CONDITIONS SMN1; SMN2, PYGB, PMP22 PRKD3 1475/4885EGFR 4745/4885PRKCG 207/4885
US-20130059824-A1 METHODS FOR TREATING MILD COGNITIVE IMPAIRMENT CHAT, PSEN2, PAK2 PRKD3 433/4885EGFR 3863/4885PRKCG 64/4885

“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.